 Entering Gaussian System, Link 0=g16
 Input=31_naproxen_conformer01_STD_LCPBE_augccpVDZ.in
 Output=31_naproxen_conformer01_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/Gau-198374.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    198375.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Aug-2021 
 ******************************************
 %NoSave
 %NProc=8
 Will use up to    8 processors via shared memory.
 %Mem=42GB
 %chk=31_naproxen_conformer01_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=023000000
 0,3/108=0230000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=230000000,108=230000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=200,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Aug 16 21:26:30 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "31_naproxen_conformer01_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.701650000000      0.861049000000     -0.150441000000
  C                                                -1.142583000000     -0.492061000000     -0.146036000000
  C                                                 0.680291000000      1.135563000000     -0.261208000000
  C                                                 1.611358000000      0.129451000000     -0.370251000000
  C                                                 1.162418000000     -1.214398000000     -0.360965000000
  C                                                -0.168407000000     -1.514023000000     -0.252411000000
  C                                                -1.673067000000      1.886980000000     -0.044418000000
  H                                                 1.002631000000      2.171223000000     -0.269064000000
  H                                                 1.887775000000     -2.015222000000     -0.432725000000
  H                                                -0.492297000000     -2.547618000000     -0.243597000000
  C                                                 3.089483000000      0.433563000000     -0.483088000000
  C                                                 3.712284000000     -0.066300000000     -1.786151000000
  C                                                 3.873459000000     -0.077627000000      0.733351000000
  H                                                 3.203190000000      1.522932000000     -0.441764000000
  H                                                 4.768168000000      0.193895000000     -1.827559000000
  H                                                 3.198059000000      0.378934000000     -2.637902000000
  H                                                 3.635566000000     -1.150409000000     -1.866576000000
  O                                                 4.972607000000     -0.550358000000      0.679433000000
  O                                                 3.255984000000      0.083411000000      1.926913000000
  H                                                 2.348270000000      0.392671000000      1.784838000000
  C                                                -3.000863000000      1.591354000000      0.061295000000
  C                                                -3.436799000000      0.243260000000      0.067154000000
  C                                                -2.523995000000     -0.780170000000     -0.034789000000
  O                                                -4.779617000000      0.081304000000      0.178247000000
  C                                                -5.294817000000     -1.239834000000      0.194020000000
  H                                                -1.347302000000      2.919928000000     -0.048267000000
  H                                                -3.748933000000      2.368268000000      0.142782000000
  H                                                -2.835427000000     -1.814402000000     -0.032567000000
  H                                                -5.057543000000     -1.768200000000     -0.733736000000
  H                                                -6.373003000000     -1.140865000000      0.289516000000
  H                                                -4.903616000000     -1.806841000000      1.043513000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     31 NQM=       31 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12           1           1           1           1          16          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  15.9949146   1.0078250
 NucSpn=           0           0           0           1           1           1           1           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   8.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12          12          16          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Mon Aug 16 21:26:31 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.701650    0.861049   -0.150441
      2          6           0       -1.142583   -0.492061   -0.146036
      3          6           0        0.680291    1.135563   -0.261208
      4          6           0        1.611358    0.129451   -0.370251
      5          6           0        1.162418   -1.214398   -0.360965
      6          6           0       -0.168407   -1.514023   -0.252411
      7          6           0       -1.673067    1.886980   -0.044418
      8          1           0        1.002631    2.171223   -0.269064
      9          1           0        1.887775   -2.015222   -0.432725
     10          1           0       -0.492297   -2.547618   -0.243597
     11          6           0        3.089483    0.433563   -0.483088
     12          6           0        3.712284   -0.066300   -1.786151
     13          6           0        3.873459   -0.077627    0.733351
     14          1           0        3.203190    1.522932   -0.441764
     15          1           0        4.768168    0.193895   -1.827559
     16          1           0        3.198059    0.378934   -2.637902
     17          1           0        3.635566   -1.150409   -1.866576
     18          8           0        4.972607   -0.550358    0.679433
     19          8           0        3.255984    0.083411    1.926913
     20          1           0        2.348270    0.392671    1.784838
     21          6           0       -3.000863    1.591354    0.061295
     22          6           0       -3.436799    0.243260    0.067154
     23          6           0       -2.523995   -0.780170   -0.034789
     24          8           0       -4.779617    0.081304    0.178247
     25          6           0       -5.294817   -1.239834    0.194020
     26          1           0       -1.347302    2.919928   -0.048267
     27          1           0       -3.748933    2.368268    0.142782
     28          1           0       -2.835427   -1.814402   -0.032567
     29          1           0       -5.057543   -1.768200   -0.733736
     30          1           0       -6.373003   -1.140865    0.289516
     31          1           0       -4.903616   -1.806841    1.043513
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.423147   0.000000
     3  C    1.413290   2.446486   0.000000
     4  C    2.435890   2.832091   1.375150   0.000000
     5  C    2.797597   2.425076   2.400982   1.416885   0.000000
     6  C    2.436332   1.415889   2.782206   2.425378   1.368450
     7  C    1.416837   2.439585   2.479903   3.739321   4.214110
     8  H    2.152952   3.422011   1.084692   2.132984   3.390635
     9  H    3.880431   3.403716   3.378592   2.163315   1.082872
    10  H    3.416360   2.158172   3.865371   3.407067   2.128223
    11  C    3.829633   4.345200   2.519175   1.513298   2.538556
    12  C    4.797743   5.142080   3.600404   2.541059   3.138646
    13  C    4.753296   5.109379   3.557710   2.525454   3.136801
    14  H    3.971238   4.799312   2.558842   2.116798   3.415297
    15  H    5.759924   6.183448   4.477827   3.477549   4.139519
    16  H    4.650551   5.080276   3.544054   2.778867   3.444849
    17  H    5.079619   5.120975   4.066513   2.823907   2.896104
    18  O    5.905756   6.170928   4.706497   3.586359   4.005111
    19  O    4.536848   4.896496   3.539646   2.825575   3.361802
    20  H    3.642347   4.086206   2.742325   2.292757   2.931448
    21  C    2.421685   2.799430   3.723258   4.857569   5.038200
    22  C    2.812481   2.418589   4.225453   5.068349   4.843640
    23  C    2.455182   1.415515   3.740153   4.247480   3.726203
    24  O    4.164835   3.696204   5.578098   6.414650   6.105520
    25  C    5.062563   4.232712   6.446058   7.063186   6.481091
    26  H    2.160159   3.419523   2.709324   4.079719   4.846558
    27  H    3.412275   3.880458   4.615278   5.831657   6.100051
    28  H    3.424169   2.151089   4.595089   4.864822   4.055936
    29  H    5.121229   4.159427   6.448090   6.943158   6.255683
    30  H    6.030379   5.288473   7.431983   8.111659   7.563802
    31  H    5.118562   4.158009   6.445158   6.942106   6.254624
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.724793   0.000000
     8  H    3.866865   2.700115   0.000000
     9  H    2.124052   5.296939   4.282124   0.000000
    10  H    1.083190   4.593425   4.950042   2.446213   0.000000
    11  C    3.802650   4.998673   2.724008   2.728220   4.666256
    12  C    4.416789   5.987566   3.827569   2.993141   5.120050
    13  C    4.401323   5.935365   3.782039   3.009476   5.110294
    14  H    4.541654   4.905945   2.300558   3.774776   5.501388
    15  H    5.455992   6.894609   4.529680   3.888756   6.139814
    16  H    4.539488   5.720859   3.693724   3.508794   5.283572
    17  H    4.148247   6.381816   4.529639   2.420455   4.650323
    18  O    5.312910   7.115445   4.905849   3.591505   5.891197
    19  O    4.362075   5.606652   3.776092   3.441533   5.067843
    20  H    3.757596   4.663720   3.031914   3.305691   4.563844
    21  C    4.214805   1.364409   4.058737   6.095099   4.849428
    22  C    3.724587   2.413507   4.851662   5.805317   4.068864
    23  C    2.476832   2.799618   4.604639   4.598633   2.700976
    24  O    4.898346   3.600097   6.164596   7.015898   5.046810
    25  C    5.153112   4.790709   7.176880   7.251459   4.996599
    26  H    4.592536   1.083106   2.476186   5.913479   5.537440
    27  H    5.296086   2.139136   4.773448   7.163705   5.909391
    28  H    2.692871   3.879620   5.538215   4.744375   2.464224
    29  H    4.919342   5.028934   7.242975   6.956225   4.657166
    30  H    6.239386   5.600782   8.104438   8.338260   6.070080
    31  H    4.918065   5.026366   7.240967   6.953107   4.654582
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.528305   0.000000
    13  C    1.534815   2.524677   0.000000
    14  H    1.096067   2.142945   2.095697   0.000000
    15  H    2.164030   1.088259   2.726259   2.477080   0.000000
    16  H    2.158239   1.090019   3.468423   2.476243   1.776552
    17  H    2.172835   1.089792   2.822601   3.060031   1.758256
    18  O    2.421923   2.811020   1.197710   2.947279   2.623112
    19  O    2.440990   3.743991   1.353440   2.772298   4.049070
    20  H    2.386327   3.850085   1.911284   2.639344   4.352566
    21  C    6.223275   7.157319   7.105875   6.224791   8.116557
    22  C    6.552201   7.391884   7.347561   6.781299   8.421037
    23  C    5.760664   6.516752   6.481591   6.186320   7.572217
    24  O    7.904694   8.717398   8.672319   8.135595   9.756851
    25  C    8.576434   9.296565   9.257369   8.958416  10.363688
    26  H    5.104522   6.126762   6.070635   4.776339   6.927922
    27  H    7.134335   8.081934   8.026957   7.027681   9.008393
    28  H    6.353021   7.000245   6.972243   6.911594   8.066592
    29  H    8.443022   8.995216   9.207235   8.896994  10.079229
    30  H    9.623637  10.352589  10.311035   9.966647  11.418813
    31  H    8.440353   9.234187   8.951169   8.888967  10.285398
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.767837   0.000000
    18  O    3.875218   2.937669   0.000000
    19  O    4.574738   4.007113   2.214648   0.000000
    20  H    4.503661   4.167859   2.999728   0.969418   0.000000
    21  C    6.868934   7.434793   8.279206   6.700937   5.746361
    22  C    7.166385   7.463241   8.468933   6.948208   6.036538
    23  C    6.392310   6.436825   7.534054   6.164593   5.331563
    24  O    8.465376   8.747212   9.785502   8.223668   7.313334
    25  C    9.097754   9.165467  10.301990   8.824403   7.975748
    26  H    5.815769   6.686020   7.246632   5.756510   4.837825
    27  H    7.742761   8.423149   9.212580   7.581066   6.616284
    28  H    6.928308   6.758567   7.941671   6.674320   5.919869
    29  H    8.740194   8.788352  10.202161   8.923130   8.115334
    30  H   10.123477  10.238177  11.367656   9.843643   8.980441
    31  H    9.163382   9.045283   9.962484   8.422145   7.614280
                   21         22         23         24         25
    21  C    0.000000
    22  C    1.416839   0.000000
    23  C    2.420901   1.375141   0.000000
    24  O    2.336214   1.357104   2.423913   0.000000
    25  C    3.646295   2.380734   2.817996   1.418127   0.000000
    26  H    2.124000   3.397627   3.882720   4.459807   5.739791
    27  H    1.081593   2.149141   3.382997   2.508739   3.925657
    28  H    3.411063   2.146058   1.080107   2.723604   2.535758
    29  H    4.018533   2.704479   2.807774   2.080774   1.093710
    30  H    4.346083   3.253696   3.879451   2.011208   1.086922
    31  H    4.016584   2.703284   2.807024   2.080662   1.093697
                   26         27         28         29         30
    26  H    0.000000
    27  H    2.471570   0.000000
    28  H    4.962725   4.284853   0.000000
    29  H    6.017832   4.426185   2.330573   0.000000
    30  H    6.470070   4.384209   3.615499   1.780738   0.000000
    31  H    6.015122   4.424494   2.331397   1.784321   1.780768
                   31
    31  H    0.000000
 Stoichiometry    C14H14O3
 Framework group  C1[X(C14H14O3)]
 Deg. of freedom    87
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 9.22D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.701650    0.861049   -0.150441
      2          6           0       -1.142583   -0.492061   -0.146036
      3          6           0        0.680291    1.135563   -0.261208
      4          6           0        1.611358    0.129451   -0.370251
      5          6           0        1.162418   -1.214398   -0.360965
      6          6           0       -0.168407   -1.514023   -0.252411
      7          6           0       -1.673067    1.886980   -0.044418
      8          1           0        1.002631    2.171223   -0.269064
      9          1           0        1.887775   -2.015222   -0.432725
     10          1           0       -0.492297   -2.547618   -0.243597
     11          6           0        3.089483    0.433563   -0.483088
     12          6           0        3.712284   -0.066300   -1.786151
     13          6           0        3.873459   -0.077627    0.733351
     14          1           0        3.203190    1.522932   -0.441764
     15          1           0        4.768168    0.193895   -1.827559
     16          1           0        3.198059    0.378934   -2.637902
     17          1           0        3.635566   -1.150409   -1.866576
     18          8           0        4.972607   -0.550358    0.679433
     19          8           0        3.255984    0.083411    1.926913
     20          1           0        2.348270    0.392671    1.784838
     21          6           0       -3.000863    1.591354    0.061295
     22          6           0       -3.436799    0.243260    0.067154
     23          6           0       -2.523995   -0.780170   -0.034789
     24          8           0       -4.779617    0.081304    0.178247
     25          6           0       -5.294817   -1.239834    0.194020
     26          1           0       -1.347302    2.919928   -0.048267
     27          1           0       -3.748933    2.368268    0.142782
     28          1           0       -2.835427   -1.814402   -0.032567
     29          1           0       -5.057543   -1.768200   -0.733736
     30          1           0       -6.373003   -1.140865    0.289516
     31          1           0       -4.903616   -1.806841    1.043513
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3888905           0.2034593           0.1967639
 Leave Link  202 at Mon Aug 16 21:26:31 2021, MaxMem=  5637144576 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     14     15     16     17     20     26     27
 Centers:      28     29     30     31
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7     11     12     13
 Centers:      21     22     23     25
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      18     19     24
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  51 primitive shells out of 588 were deleted.
 There are   551 symmetry adapted cartesian basis functions of A   symmetry.
 There are   517 symmetry adapted basis functions of A   symmetry.
   517 basis functions,   967 primitive gaussians,   551 cartesian basis functions
    61 alpha electrons       61 beta electrons
       nuclear repulsion energy      1134.2190356318 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.230000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.230000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   31 NActive=   31 NUniq=   31 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Mon Aug 16 21:26:32 2021, MaxMem=  5637144576 cpu:              10.2 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   517 RedAO= T EigKep=  1.41D-06  NBF=   517
 NBsUse=   513 1.00D-06 EigRej=  9.55D-07 NBFU=   513
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   551   551   551   551   551 MxSgAt=    31 MxSgA2=    31.
 Leave Link  302 at Mon Aug 16 21:26:33 2021, MaxMem=  5637144576 cpu:               5.1 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Aug 16 21:26:33 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "31_naproxen_conformer01_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Aug 16 21:26:34 2021, MaxMem=  5637144576 cpu:               6.2 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636527787 LenY=  5636223635
 Requested convergence on RMS density matrix=1.00D-08 within 200 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -765.488611735291    
 DIIS: error= 2.12D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -765.488611735291     IErMin= 1 ErrMin= 2.12D-03
 ErrMax= 2.12D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.74D-02 BMatP= 1.74D-02
 IDIUse=3 WtCom= 9.79D-01 WtEn= 2.12D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.292 Goal=   None    Shift=    0.000
 GapD=    0.292 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=6.56D-02 MaxDP=7.01D+00              OVMax= 1.75D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.13D-02    CP:  1.67D+00
 E= -765.502214771987     Delta-E=       -0.013603036696 Rises=F Damp=F
 DIIS: error= 1.46D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -765.502214771987     IErMin= 2 ErrMin= 1.46D-03
 ErrMax= 1.46D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.87D-03 BMatP= 1.74D-02
 IDIUse=3 WtCom= 9.85D-01 WtEn= 1.46D-02
 Coeff-Com:  0.224D+00 0.776D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.220D+00 0.780D+00
 Gap=     0.296 Goal=   None    Shift=    0.000
 RMSDP=8.47D-03 MaxDP=9.19D-01 DE=-1.36D-02 OVMax= 1.26D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.48D-03    CP:  1.76D+00  1.12D+00
 E= -765.502868215997     Delta-E=       -0.000653444010 Rises=F Damp=F
 DIIS: error= 1.29D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -765.502868215997     IErMin= 3 ErrMin= 1.29D-03
 ErrMax= 1.29D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.00D-03 BMatP= 3.87D-03
 IDIUse=3 WtCom= 9.87D-01 WtEn= 1.29D-02
 Coeff-Com: -0.233D-01 0.472D+00 0.552D+00
 Coeff-En:   0.000D+00 0.438D+00 0.562D+00
 Coeff:     -0.230D-01 0.471D+00 0.552D+00
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=3.19D-03 MaxDP=3.39D-01 DE=-6.53D-04 OVMax= 7.25D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  4.69D-04    CP:  1.79D+00  1.17D+00  1.24D+00
 E= -765.504973334747     Delta-E=       -0.002105118750 Rises=F Damp=F
 DIIS: error= 1.48D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -765.504973334747     IErMin= 4 ErrMin= 1.48D-04
 ErrMax= 1.48D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.51D-05 BMatP= 3.00D-03
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.48D-03
 Coeff-Com: -0.139D-01 0.154D+00 0.218D+00 0.642D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.138D-01 0.154D+00 0.218D+00 0.642D+00
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=4.74D-04 MaxDP=5.10D-02 DE=-2.11D-03 OVMax= 2.52D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  9.98D-05    CP:  1.80D+00  1.17D+00  1.30D+00  1.03D+00
 E= -765.505003741272     Delta-E=       -0.000030406526 Rises=F Damp=F
 DIIS: error= 8.05D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -765.505003741272     IErMin= 5 ErrMin= 8.05D-05
 ErrMax= 8.05D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.41D-05 BMatP= 4.51D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.250D-02-0.192D-01 0.402D-02 0.376D+00 0.642D+00
 Coeff:     -0.250D-02-0.192D-01 0.402D-02 0.376D+00 0.642D+00
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=2.23D-04 MaxDP=2.50D-02 DE=-3.04D-05 OVMax= 8.69D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.42D-05    CP:  1.80D+00  1.18D+00  1.34D+00  1.08D+00  1.22D+00
 E= -765.505014988176     Delta-E=       -0.000011246903 Rises=F Damp=F
 DIIS: error= 1.59D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -765.505014988176     IErMin= 6 ErrMin= 1.59D-05
 ErrMax= 1.59D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.50D-07 BMatP= 1.41D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.113D-03-0.216D-01-0.168D-01 0.110D+00 0.273D+00 0.656D+00
 Coeff:      0.113D-03-0.216D-01-0.168D-01 0.110D+00 0.273D+00 0.656D+00
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=2.56D-05 MaxDP=1.94D-03 DE=-1.12D-05 OVMax= 3.18D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.32D-05    CP:  1.80D+00  1.18D+00  1.35D+00  1.10D+00  1.21D+00
                    CP:  1.28D+00
 E= -765.505015802007     Delta-E=       -0.000000813832 Rises=F Damp=F
 DIIS: error= 7.79D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -765.505015802007     IErMin= 7 ErrMin= 7.79D-06
 ErrMax= 7.79D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.02D-07 BMatP= 7.50D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.459D-03-0.623D-02-0.756D-02-0.984D-02 0.153D-01 0.271D+00
 Coeff-Com:  0.737D+00
 Coeff:      0.459D-03-0.623D-02-0.756D-02-0.984D-02 0.153D-01 0.271D+00
 Coeff:      0.737D+00
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=1.25D-05 MaxDP=1.12D-03 DE=-8.14D-07 OVMax= 1.39D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  5.78D-06    CP:  1.80D+00  1.18D+00  1.35D+00  1.10D+00  1.25D+00
                    CP:  1.33D+00  1.21D+00
 E= -765.505015950625     Delta-E=       -0.000000148618 Rises=F Damp=F
 DIIS: error= 2.84D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -765.505015950625     IErMin= 8 ErrMin= 2.84D-06
 ErrMax= 2.84D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.38D-08 BMatP= 1.02D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.153D-03 0.294D-03-0.755D-03-0.174D-01-0.289D-01 0.306D-01
 Coeff-Com:  0.290D+00 0.726D+00
 Coeff:      0.153D-03 0.294D-03-0.755D-03-0.174D-01-0.289D-01 0.306D-01
 Coeff:      0.290D+00 0.726D+00
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=6.65D-06 MaxDP=6.45D-04 DE=-1.49D-07 OVMax= 7.82D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.17D-06    CP:  1.80D+00  1.18D+00  1.35D+00  1.10D+00  1.26D+00
                    CP:  1.36D+00  1.29D+00  1.07D+00
 E= -765.505015976177     Delta-E=       -0.000000025552 Rises=F Damp=F
 DIIS: error= 1.81D-06 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -765.505015976177     IErMin= 9 ErrMin= 1.81D-06
 ErrMax= 1.81D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.85D-09 BMatP= 1.38D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.349D-04 0.137D-02 0.127D-02-0.470D-02-0.149D-01-0.449D-01
 Coeff-Com: -0.511D-01 0.301D+00 0.812D+00
 Coeff:     -0.349D-04 0.137D-02 0.127D-02-0.470D-02-0.149D-01-0.449D-01
 Coeff:     -0.511D-01 0.301D+00 0.812D+00
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=2.51D-06 MaxDP=2.48D-04 DE=-2.56D-08 OVMax= 4.05D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  9.50D-07    CP:  1.80D+00  1.18D+00  1.35D+00  1.10D+00  1.26D+00
                    CP:  1.37D+00  1.30D+00  1.11D+00  1.07D+00
 E= -765.505015982523     Delta-E=       -0.000000006346 Rises=F Damp=F
 DIIS: error= 4.22D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -765.505015982523     IErMin=10 ErrMin= 4.22D-07
 ErrMax= 4.22D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.26D-10 BMatP= 2.85D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.355D-04 0.520D-03 0.613D-03 0.236D-03-0.232D-02-0.211D-01
 Coeff-Com: -0.552D-01 0.303D-01 0.303D+00 0.744D+00
 Coeff:     -0.355D-04 0.520D-03 0.613D-03 0.236D-03-0.232D-02-0.211D-01
 Coeff:     -0.552D-01 0.303D-01 0.303D+00 0.744D+00
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=4.96D-07 MaxDP=3.40D-05 DE=-6.35D-09 OVMax= 1.45D-05

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.61D-07    CP:  1.80D+00  1.18D+00  1.35D+00  1.10D+00  1.26D+00
                    CP:  1.36D+00  1.30D+00  1.13D+00  1.07D+00  1.09D+00
 E= -765.505015983033     Delta-E=       -0.000000000510 Rises=F Damp=F
 DIIS: error= 2.36D-07 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -765.505015983033     IErMin=11 ErrMin= 2.36D-07
 ErrMax= 2.36D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.23D-11 BMatP= 3.26D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.736D-05-0.720D-04-0.120D-04 0.118D-02 0.244D-02 0.497D-03
 Coeff-Com: -0.138D-01-0.521D-01-0.438D-01 0.327D+00 0.778D+00
 Coeff:     -0.736D-05-0.720D-04-0.120D-04 0.118D-02 0.244D-02 0.497D-03
 Coeff:     -0.138D-01-0.521D-01-0.438D-01 0.327D+00 0.778D+00
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=4.84D-07 MaxDP=4.48D-05 DE=-5.10D-10 OVMax= 6.75D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.65D-07    CP:  1.80D+00  1.18D+00  1.35D+00  1.10D+00  1.26D+00
                    CP:  1.36D+00  1.29D+00  1.12D+00  1.07D+00  1.14D+00
                    CP:  1.10D+00
 E= -765.505015983334     Delta-E=       -0.000000000302 Rises=F Damp=F
 DIIS: error= 9.07D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -765.505015983334     IErMin=12 ErrMin= 9.07D-08
 ErrMax= 9.07D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.84D-12 BMatP= 7.23D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.139D-05-0.822D-04-0.726D-04 0.377D-03 0.115D-02 0.237D-02
 Coeff-Com:  0.117D-02-0.202D-01-0.473D-01 0.293D-01 0.269D+00 0.764D+00
 Coeff:      0.139D-05-0.822D-04-0.726D-04 0.377D-03 0.115D-02 0.237D-02
 Coeff:      0.117D-02-0.202D-01-0.473D-01 0.293D-01 0.269D+00 0.764D+00
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=1.77D-07 MaxDP=1.50D-05 DE=-3.02D-10 OVMax= 2.60D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  6.52D-08    CP:  1.80D+00  1.18D+00  1.35D+00  1.10D+00  1.26D+00
                    CP:  1.36D+00  1.29D+00  1.12D+00  1.05D+00  1.16D+00
                    CP:  1.15D+00  9.71D-01
 E= -765.505015983236     Delta-E=        0.000000000098 Rises=F Damp=F
 DIIS: error= 3.11D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -765.505015983334     IErMin=13 ErrMin= 3.11D-08
 ErrMax= 3.11D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.35D-12 BMatP= 6.84D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.172D-05-0.189D-04-0.254D-04-0.617D-04 0.298D-04 0.769D-03
 Coeff-Com:  0.261D-02 0.159D-02-0.107D-01-0.435D-01-0.307D-01 0.305D+00
 Coeff-Com:  0.775D+00
 Coeff:      0.172D-05-0.189D-04-0.254D-04-0.617D-04 0.298D-04 0.769D-03
 Coeff:      0.261D-02 0.159D-02-0.107D-01-0.435D-01-0.307D-01 0.305D+00
 Coeff:      0.775D+00
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=4.00D-08 MaxDP=2.37D-06 DE= 9.80D-11 OVMax= 1.17D-06

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  2.34D-08    CP:  1.80D+00  1.18D+00  1.35D+00  1.10D+00  1.26D+00
                    CP:  1.36D+00  1.29D+00  1.12D+00  1.05D+00  1.15D+00
                    CP:  1.17D+00  1.05D+00  9.87D-01
 E= -765.505015983281     Delta-E=       -0.000000000045 Rises=F Damp=F
 DIIS: error= 1.91D-08 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=12 EnMin= -765.505015983334     IErMin=14 ErrMin= 1.91D-08
 ErrMax= 1.91D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.64D-13 BMatP= 1.35D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.219D-06 0.882D-05 0.587D-05-0.803D-04-0.185D-03-0.192D-03
 Coeff-Com:  0.459D-03 0.401D-02 0.474D-02-0.173D-01-0.537D-01-0.410D-01
 Coeff-Com:  0.205D+00 0.899D+00
 Coeff:      0.219D-06 0.882D-05 0.587D-05-0.803D-04-0.185D-03-0.192D-03
 Coeff:      0.459D-03 0.401D-02 0.474D-02-0.173D-01-0.537D-01-0.410D-01
 Coeff:      0.205D+00 0.899D+00
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=2.03D-08 MaxDP=2.08D-06 DE=-4.50D-11 OVMax= 7.01D-07

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  1.01D-08    CP:  1.80D+00  1.18D+00  1.35D+00  1.10D+00  1.26D+00
                    CP:  1.36D+00  1.29D+00  1.12D+00  1.05D+00  1.15D+00
                    CP:  1.18D+00  1.07D+00  1.06D+00  9.98D-01
 E= -765.505015983292     Delta-E=       -0.000000000011 Rises=F Damp=F
 DIIS: error= 6.59D-09 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=12 EnMin= -765.505015983334     IErMin=15 ErrMin= 6.59D-09
 ErrMax= 6.59D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.63D-14 BMatP= 1.64D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.209D-06 0.510D-05 0.562D-05-0.903D-05-0.491D-04-0.164D-03
 Coeff-Com: -0.311D-03 0.699D-03 0.262D-02 0.287D-02-0.669D-02-0.595D-01
 Coeff-Com: -0.828D-01 0.177D+00 0.966D+00
 Coeff:     -0.209D-06 0.510D-05 0.562D-05-0.903D-05-0.491D-04-0.164D-03
 Coeff:     -0.311D-03 0.699D-03 0.262D-02 0.287D-02-0.669D-02-0.595D-01
 Coeff:     -0.828D-01 0.177D+00 0.966D+00
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=1.04D-08 MaxDP=1.12D-06 DE=-1.09D-11 OVMax= 3.41D-07

 Cycle  16  Pass 1  IDiag  1:
 RMSU=  4.23D-09    CP:  1.80D+00  1.18D+00  1.35D+00  1.10D+00  1.26D+00
                    CP:  1.36D+00  1.29D+00  1.12D+00  1.05D+00  1.15D+00
                    CP:  1.18D+00  1.07D+00  1.06D+00  1.08D+00  1.08D+00
 E= -765.505015983162     Delta-E=        0.000000000130 Rises=F Damp=F
 DIIS: error= 2.77D-09 at cycle  16 NSaved=  16.
 NSaved=16 IEnMin=12 EnMin= -765.505015983334     IErMin=16 ErrMin= 2.77D-09
 ErrMax= 2.77D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.73D-15 BMatP= 2.63D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.112D-06-0.342D-06 0.507D-06 0.138D-04 0.232D-04-0.108D-04
 Coeff-Com: -0.187D-03-0.561D-03-0.203D-03 0.433D-02 0.958D-02-0.697D-02
 Coeff-Com: -0.605D-01-0.140D+00 0.282D+00 0.912D+00
 Coeff:     -0.112D-06-0.342D-06 0.507D-06 0.138D-04 0.232D-04-0.108D-04
 Coeff:     -0.187D-03-0.561D-03-0.203D-03 0.433D-02 0.958D-02-0.697D-02
 Coeff:     -0.605D-01-0.140D+00 0.282D+00 0.912D+00
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=2.96D-09 MaxDP=2.02D-07 DE= 1.30D-10 OVMax= 1.40D-07

 SCF Done:  E(RLC-PBE+HF-PBE) =  -765.505015983     A.U. after   16 cycles
            NFock= 16  Conv=0.30D-08     -V/T= 2.0045
 KE= 7.620874691028D+02 PE=-4.054603568495D+03 EE= 1.392792047777D+03
 Leave Link  502 at Mon Aug 16 21:40:43 2021, MaxMem=  5637144576 cpu:            6776.6 elap:             849.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   513
 NBasis=   517 NAE=    61 NBE=    61 NFC=     0 NFV=     0
 NROrb=    513 NOA=    61 NOB=    61 NVA=   452 NVB=   452

 **** Warning!!: The largest alpha MO coefficient is  0.97714605D+02

 Leave Link  801 at Mon Aug 16 21:40:43 2021, MaxMem=  5637144576 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         9624 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          31
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.60D-13 8.33D-09 XBig12= 1.00D+00 4.99D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.60D-13 8.33D-09 XBig12= 2.66D-01 1.07D-01.
     11 vectors produced by pass  2 Test12= 4.60D-13 8.33D-09 XBig12= 7.47D-02 1.21D-01.
     11 vectors produced by pass  3 Test12= 4.60D-13 8.33D-09 XBig12= 1.14D-02 4.10D-02.
     11 vectors produced by pass  4 Test12= 4.60D-13 8.33D-09 XBig12= 2.84D-03 1.79D-02.
     11 vectors produced by pass  5 Test12= 4.60D-13 8.33D-09 XBig12= 5.27D-04 6.43D-03.
     11 vectors produced by pass  6 Test12= 4.60D-13 8.33D-09 XBig12= 3.55D-05 1.15D-03.
     11 vectors produced by pass  7 Test12= 4.60D-13 8.33D-09 XBig12= 1.87D-06 1.91D-04.
     11 vectors produced by pass  8 Test12= 4.60D-13 8.33D-09 XBig12= 1.11D-07 5.74D-05.
     11 vectors produced by pass  9 Test12= 4.60D-13 8.33D-09 XBig12= 5.34D-09 9.26D-06.
     11 vectors produced by pass 10 Test12= 4.60D-13 8.33D-09 XBig12= 1.99D-10 1.68D-06.
     10 vectors produced by pass 11 Test12= 4.60D-13 8.33D-09 XBig12= 7.55D-12 3.16D-07.
      7 vectors produced by pass 12 Test12= 4.60D-13 8.33D-09 XBig12= 2.86D-13 5.29D-08.
      4 vectors produced by pass 13 Test12= 4.60D-13 8.33D-09 XBig12= 5.53D-14 1.15D-08.
      1 vectors produced by pass 14 Test12= 4.60D-13 8.33D-09 XBig12= 3.22D-14 1.37D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 8.53D-14
 Solved reduced A of dimension   143 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.312355D+03
      2 -0.866453D+01  0.176957D+03
      3 -0.132781D+02  0.210646D+01  0.125057D+03
 Isotropic polarizability for W=    0.088559      204.79 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.291290D+03 -0.933324D+02  0.439288D+02
      2   0.914007D+02  0.713510D+02  0.469235D+01
      3   0.199889D+03  0.219814D+02 -0.486212D+02
      4  -0.904878D+02 -0.176733D+03 -0.779047D+00
      5  -0.314139D+02 -0.287809D+01  0.824475D+02
      6  -0.358146D+01 -0.461956D+02 -0.140068D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.343207D+01 -0.254221D+02  0.381018D+01
      2   0.479913D+02  0.803739D+00  0.348474D+02
      3   0.845576D+02  0.703114D+02 -0.276667D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.209904D+01 -0.508879D+02  0.359883D+02
      2   0.753428D+02  0.280242D+01 -0.117442D+03
      3   0.284460D+01  0.268134D+03 -0.703379D+00
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.150622D+01 -0.258546D+01 -0.172378D+02
      2  -0.258546D+01 -0.239877D+01 -0.745319D+01
      3  -0.172378D+02 -0.745319D+01 -0.149001D+01
 OR G Eigenvalues:   -21.4283    -0.3884    16.4218  Iso=     1.7983
 Eigenvectors:
   (1)   0.637718   0.354485   0.683855
   (2)  -0.388329   0.914688  -0.112010
   (3)  -0.665220  -0.194129   0.720969
 w=    0.088559 a.u., Optical Rotation Beta=      1.7983 au.
 Molar Mass =    230.2628 grams/mole, [Alpha] ( 5145.0 A) =      396.03 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  133903 ScalPx= 4.23D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.29D+04
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.66D-14 2.78D-09 XBig12= 1.00D+00 4.17D-01.
     30 vectors produced by pass  1 Test12= 7.66D-14 2.78D-09 XBig12= 7.18D-02 6.61D-02.
     30 vectors produced by pass  2 Test12= 7.66D-14 2.78D-09 XBig12= 6.85D-03 2.29D-02.
     30 vectors produced by pass  3 Test12= 7.66D-14 2.78D-09 XBig12= 1.41D-04 1.93D-03.
     30 vectors produced by pass  4 Test12= 7.66D-14 2.78D-09 XBig12= 7.71D-06 3.85D-04.
     30 vectors produced by pass  5 Test12= 7.66D-14 2.78D-09 XBig12= 1.88D-07 4.55D-05.
     30 vectors produced by pass  6 Test12= 7.66D-14 2.78D-09 XBig12= 3.28D-09 6.37D-06.
     30 vectors produced by pass  7 Test12= 7.66D-14 2.78D-09 XBig12= 5.02D-11 8.15D-07.
     30 vectors produced by pass  8 Test12= 7.66D-14 2.78D-09 XBig12= 7.74D-13 9.29D-08.
     11 vectors produced by pass  9 Test12= 7.66D-14 2.78D-09 XBig12= 2.75D-14 1.64D-08.
      7 vectors produced by pass 10 Test12= 7.66D-14 2.78D-09 XBig12= 1.30D-14 9.55D-09.
      2 vectors produced by pass 11 Test12= 7.66D-14 2.78D-09 XBig12= 4.93D-15 5.27D-09.
      2 vectors produced by pass 12 Test12= 7.66D-14 2.78D-09 XBig12= 2.24D-15 4.38D-09.
      1 vectors produced by pass 13 Test12= 7.66D-14 2.78D-09 XBig12= 1.31D-15 2.84D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.66D-15
 Solved reduced A of dimension   293 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 1.29D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 1.29D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 8.48D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.312355D+03 -0.866453D+01 -0.132781D+02
      2  -0.866453D+01  0.176957D+03  0.210646D+01
      3  -0.132781D+02  0.210646D+01  0.125057D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.343207D+01 -0.254221D+02  0.381018D+01
      2   0.479913D+02  0.803739D+00  0.348474D+02
      3   0.845576D+02  0.703114D+02 -0.276667D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.291290D+03 -0.933324D+02  0.439288D+02
      2   0.914007D+02  0.713510D+02  0.469235D+01
      3   0.199889D+03  0.219814D+02 -0.486212D+02
      4  -0.904878D+02 -0.176733D+03 -0.779047D+00
      5  -0.314139D+02 -0.287809D+01  0.824475D+02
      6  -0.358146D+01 -0.461956D+02 -0.140068D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.346578D+02 -0.192517D+01 -0.203903D+01  0.479152D+02 -0.759552D+01
      2  -0.192517D+01 -0.376013D+00  0.320621D+00 -0.759552D+01  0.890785D+01
      3  -0.203903D+01  0.320621D+00 -0.863272D-01 -0.363394D+01  0.763259D+00
                 6             7             8             9            10 
      1  -0.363394D+01 -0.138462D+01 -0.270499D-01  0.120805D+01 -0.386408D+02
      2   0.763259D+00 -0.270499D-01  0.149879D+00  0.139747D+01  0.275600D+01
      3  -0.324559D+00  0.120805D+01  0.139747D+01 -0.886251D-01  0.234203D+01
                11            12            13            14            15 
      1   0.275600D+01  0.234203D+01 -0.480759D+02  0.689234D+01  0.373195D+01
      2  -0.413835D+01 -0.231238D+00  0.689234D+01 -0.718800D+01 -0.814470D+00
      3  -0.231238D+00  0.306313D+00  0.373195D+01 -0.814470D+00  0.339990D+00
                16            17            18            19            20 
      1   0.206066D+01 -0.162894D+00 -0.119198D+01 -0.446570D+02  0.499580D+01
      2  -0.162894D+00  0.288354D+00 -0.123363D+01  0.499580D+01 -0.410994D+01
      3  -0.119198D+01 -0.123363D+01 -0.272492D-01  0.200261D+01 -0.283807D+00
                21            22            23            24            25 
      1   0.200261D+01  0.200547D+02 -0.227083D+01 -0.199093D+00  0.453630D+01
      2  -0.283807D+00 -0.227083D+01  0.265242D+01  0.276433D+00  0.152804D+00
      3  -0.504186D+00 -0.199093D+00  0.276433D+00  0.229246D+01  0.153997D+01
                26            27            28            29            30 
      1   0.152804D+00  0.153997D+01  0.513811D+02 -0.272696D+01 -0.132413D+01
      2   0.156259D+00  0.362890D+01 -0.272696D+01  0.379460D+01  0.236864D+00
      3   0.362890D+01 -0.182615D-01 -0.132413D+01  0.236864D+00  0.229554D+01
                31            32            33            34            35 
      1  -0.603115D+01  0.139315D+01  0.290638D+00 -0.703877D+00  0.142516D+00
      2   0.139315D+01 -0.670533D+01 -0.647221D+00  0.142516D+00 -0.908264D+00
      3   0.290638D+00 -0.647221D+00 -0.580391D+00  0.659970D+01 -0.554375D+00
                36            37            38            39            40 
      1   0.659970D+01  0.744837D+01 -0.668533D+00 -0.377209D+00 -0.925214D+01
      2  -0.554375D+00 -0.668533D+00  0.824177D+01  0.365210D+00  0.106530D+01
      3  -0.863019D+00 -0.377209D+00  0.365210D+00  0.200136D+01 -0.123229D+00
                41            42            43            44            45 
      1   0.106530D+01 -0.123229D+00 -0.115634D+01 -0.173965D+00  0.412068D+01
      2   0.302494D+01  0.175651D+00 -0.173965D+00 -0.623388D+00 -0.246087D+01
      3   0.175651D+00 -0.106970D+01  0.412068D+01 -0.246087D+01 -0.124623D+01
                46            47            48            49            50 
      1  -0.100604D+02  0.137578D+01  0.105132D+01 -0.200080D+01  0.168859D+01
      2   0.137578D+01 -0.520304D+01 -0.934391D+00  0.168859D+01 -0.229449D+00
      3   0.105132D+01 -0.934391D+00 -0.167513D+01  0.130445D+00 -0.377280D-01
                51            52            53            54            55 
      1   0.130445D+00  0.611484D+00 -0.457857D+00 -0.937299D+00  0.122792D+02
      2  -0.377280D-01 -0.457857D+00  0.604918D+00 -0.389256D+01 -0.386179D+01
      3  -0.143424D+01 -0.937299D+00 -0.389256D+01 -0.189050D+00 -0.935840D+00
                56            57            58            59            60 
      1  -0.386179D+01 -0.935840D+00  0.213860D+00 -0.155505D+01  0.137790D+00
      2   0.991795D+01  0.686305D+00 -0.155505D+01 -0.332846D+00 -0.109719D-01
      3   0.686305D+00  0.190561D+01  0.137790D+00 -0.109719D-01  0.162857D+01
                61            62            63            64            65 
      1  -0.102186D+01  0.611814D+00  0.844929D+00  0.105811D+01  0.219357D+01
      2   0.611814D+00 -0.106872D+01  0.397207D+01  0.219357D+01  0.160648D+01
      3   0.844929D+00  0.397207D+01 -0.197872D+00 -0.768371D-01 -0.160280D+00
                66            67            68            69            70 
      1  -0.768371D-01  0.262782D+01  0.305904D+01 -0.141143D+00 -0.287485D+00
      2  -0.160280D+00  0.305904D+01  0.774311D+01 -0.260015D+00 -0.155763D+00
      3   0.197626D+00 -0.141143D+00 -0.260015D+00  0.885186D+00 -0.125107D+00
                71            72            73            74            75 
      1  -0.155763D+00 -0.125107D+00  0.624027D+01 -0.295001D+01 -0.650584D+00
      2  -0.604149D-01  0.171148D+00 -0.295001D+01  0.274150D+01  0.273202D+00
      3   0.171148D+00 -0.651301D-01 -0.650584D+00  0.273202D+00  0.614560D+00
                76            77            78            79            80 
      1  -0.409756D+01  0.409012D+01  0.455231D+00 -0.796505D+00  0.245661D+00
      2   0.409012D+01 -0.502238D+01 -0.462182D+00  0.245661D+00 -0.234776D+00
      3   0.455231D+00 -0.462182D+00 -0.790371D+00 -0.275530D+00 -0.258675D+00
                81            82            83            84            85 
      1  -0.275530D+00 -0.101210D+01 -0.151204D+01  0.359370D-01 -0.823936D+00
      2  -0.258675D+00 -0.151204D+01 -0.219497D+01  0.491021D-01 -0.140715D+01
      3   0.532738D-02  0.359370D-01  0.491021D-01 -0.181641D+00 -0.729142D-01
                86            87            88            89            90 
      1  -0.140715D+01 -0.729142D-01  0.195322D+00  0.102133D+00  0.634530D-01
      2  -0.100875D+02 -0.157050D+00  0.102133D+00 -0.272045D-02 -0.202286D+00
      3  -0.157050D+00 -0.963196D+00  0.634530D-01 -0.202286D+00 -0.389894D-02
                91            92            93            94            95 
      1  -0.186993D+02  0.174137D+01 -0.673592D-01  0.160920D+01 -0.574841D+00
      2   0.174137D+01 -0.322681D+00 -0.830662D-01 -0.574841D+00 -0.500721D+01
      3  -0.673592D-01 -0.830662D-01 -0.308279D+01 -0.118629D+01 -0.791004D-01
                96            97            98            99           100 
      1  -0.118629D+01 -0.836693D+00 -0.338446D+00 -0.756860D+01 -0.693802D+01
      2  -0.791004D-01 -0.338446D+00 -0.426584D+00  0.107579D+01 -0.228112D+01
      3   0.923983D+00 -0.756860D+01  0.107579D+01 -0.170330D+00  0.159864D+01
               101           102           103           104           105 
      1  -0.228112D+01  0.159864D+01 -0.624401D+01  0.563331D+00  0.769756D+00
      2   0.167376D+00 -0.345094D+00  0.563331D+00  0.447141D+01  0.130557D+01
      3  -0.345094D+00  0.322243D+01  0.769756D+00  0.130557D+01 -0.255858D+01
               106           107           108           109           110 
      1  -0.474822D+01  0.420824D+00  0.528275D+01 -0.714137D+01  0.260035D+01
      2   0.420824D+00  0.658768D+00 -0.208004D+01  0.260035D+01 -0.574370D+00
      3   0.528275D+01 -0.208004D+01 -0.202463D-01 -0.383437D+00  0.508403D+00
               111           112           113           114           115 
      1  -0.383437D+00  0.186240D+01 -0.403989D+00  0.808651D+00  0.984088D+01
      2   0.508403D+00 -0.403989D+00  0.796322D+00  0.178935D+00 -0.629913D+00
      3   0.106575D+01  0.808651D+00  0.178935D+00 -0.552966D+00  0.499528D+01
               116           117           118           119           120 
      1  -0.629913D+00  0.499528D+01 -0.123596D+01  0.129086D+01  0.188507D-01
      2   0.120292D+01 -0.663482D+00  0.129086D+01  0.800067D+00 -0.892481D-01
      3  -0.663482D+00  0.377099D+00  0.188507D-01 -0.892481D-01  0.882640D+00
               121           122           123           124           125 
      1   0.344168D+01  0.195548D+01 -0.801098D-01  0.719683D+00 -0.404550D-01
      2   0.195548D+01  0.660668D+01 -0.322994D+00 -0.404550D-01 -0.443775D-01
      3  -0.801098D-01 -0.322994D+00  0.155197D+01  0.120186D+01  0.839209D+00
               126           127           128           129           130 
      1   0.120186D+01  0.150030D+02  0.130742D+01 -0.349111D+01  0.302978D+01
      2   0.839209D+00  0.130742D+01  0.121032D+01 -0.197559D+00  0.142891D+01
      3  -0.309135D+00 -0.349111D+01 -0.197559D+00  0.235430D+01 -0.876579D+00
               131           132           133           134           135 
      1   0.142891D+01 -0.876579D+00 -0.871864D+00 -0.183062D+00  0.104061D+01
      2   0.272476D+00 -0.504075D+00 -0.183062D+00 -0.144955D-01  0.377532D+00
      3  -0.504075D+00  0.910099D+00  0.104061D+01  0.377532D+00 -0.488355D+00
               136           137           138           139           140 
      1  -0.557311D+00  0.507853D+00 -0.753168D+00  0.133955D+01  0.120272D-01
      2   0.507853D+00 -0.645947D+00  0.518964D+00  0.120272D-01  0.748196D+00
      3  -0.753168D+00  0.518964D+00 -0.314058D+01 -0.229568D+00 -0.152802D+01
               141           142           143           144           145 
      1  -0.229568D+00 -0.639292D+00 -0.298531D-01 -0.338909D+00  0.525832D+00
      2  -0.152802D+01 -0.298531D-01 -0.135271D+01  0.154966D+01 -0.635185D+00
      3   0.282579D+01 -0.338909D+00  0.154966D+01 -0.693726D+01 -0.749724D-01
               146           147           148           149           150 
      1  -0.635185D+00 -0.749724D-01 -0.269817D+01  0.867888D+00  0.107950D+01
      2   0.101952D+00  0.349787D-01  0.867888D+00 -0.605166D+01 -0.172034D+01
      3   0.349787D-01 -0.519935D+00  0.107950D+01 -0.172034D+01 -0.219370D+01
               151           152           153           154           155 
      1   0.180824D+00  0.205595D+00 -0.136002D+00  0.196428D+02 -0.347922D+01
      2   0.205595D+00 -0.742733D+00 -0.702384D+00 -0.347922D+01  0.198744D+01
      3  -0.136002D+00 -0.702384D+00 -0.743180D+00  0.107410D+01 -0.367394D+00
               156           157           158           159           160 
      1   0.107410D+01 -0.589550D+01  0.465684D+01 -0.572207D+00  0.122462D+01
      2  -0.367394D+00  0.465684D+01 -0.303511D+01  0.277241D+00 -0.325914D+00
      3   0.307235D+01 -0.572207D+00  0.277241D+00 -0.109322D+01  0.228008D+01
               161           162           163           164           165 
      1  -0.325914D+00  0.228008D+01  0.138777D+02 -0.142464D+01  0.425154D+01
      2  -0.438317D+00 -0.779411D+00 -0.142464D+01  0.180637D+00  0.267660D+00
      3  -0.779411D+00 -0.325340D+00  0.425154D+01  0.267660D+00  0.118118D+01
               166           167           168           169           170 
      1  -0.434813D+01  0.247662D+00 -0.714423D+00  0.506007D+00  0.725060D+00
      2   0.247662D+00  0.202755D+00  0.156865D+01  0.725060D+00  0.550434D+00
      3  -0.714423D+00  0.156865D+01 -0.515250D+00  0.583331D+00  0.457925D+00
               171           172           173           174           175 
      1   0.583331D+00 -0.114233D+02  0.976647D+00 -0.227980D+01  0.325853D+01
      2   0.457925D+00  0.976647D+00 -0.403490D+00 -0.258959D+00 -0.164539D-01
      3   0.777347D+01 -0.227980D+01 -0.258959D+00 -0.316199D+01  0.651390D+00
               176           177           178           179           180 
      1  -0.164539D-01  0.651390D+00 -0.643979D+01  0.644646D-01 -0.235476D+01
      2   0.672410D+00  0.830431D+00  0.644646D-01  0.103129D+01  0.248677D+00
      3   0.830431D+00  0.111044D+01 -0.235476D+01  0.248677D+00  0.524074D+00
               181           182           183           184           185 
      1  -0.122828D+02  0.173139D+01  0.415170D+00  0.553169D+01  0.903423D+00
      2   0.173139D+01 -0.106538D+02  0.130423D+00  0.903423D+00 -0.555579D+01
      3   0.415170D+00  0.130423D+00 -0.231167D+01 -0.160069D+00 -0.124390D+00
               186           187           188           189           190 
      1  -0.160069D+00  0.278781D+00  0.269646D+00 -0.501245D+01 -0.347115D+02
      2  -0.124390D+00  0.269646D+00  0.614115D+00  0.322958D+01  0.695031D+00
      3   0.126610D+01 -0.501245D+01  0.322958D+01  0.112765D+01  0.161490D+01
               191           192           193           194           195 
      1   0.695031D+00  0.161490D+01  0.165769D+02 -0.939648D+00 -0.966526D+00
      2  -0.708007D+01 -0.111864D+00 -0.939648D+00  0.130278D+02  0.111508D+00
      3  -0.111864D+00 -0.382455D+01 -0.966526D+00  0.111508D+00  0.307529D+00
               196           197           198           199           200 
      1   0.215557D+01  0.119663D+00 -0.680440D+01  0.416649D+02 -0.380681D+01
      2   0.119663D+00  0.883099D+00  0.471992D+00 -0.380681D+01  0.799322D+01
      3  -0.680440D+01  0.471992D+00  0.132132D+01 -0.280743D+01 -0.219370D-01
               201           202           203           204           205 
      1  -0.280743D+01 -0.178778D+02 -0.662622D+00  0.107269D+01 -0.398161D+01
      2  -0.219370D-01 -0.662622D+00 -0.492655D+01  0.105487D+00 -0.144089D-01
      3   0.362767D+00  0.107269D+01  0.105487D+00 -0.265418D+01  0.288788D+00
               206           207           208           209           210 
      1  -0.144089D-01  0.288788D+00  0.335438D+01  0.102173D+01 -0.226875D+00
      2  -0.645663D+00 -0.366447D+01  0.102173D+01  0.245484D+01  0.819777D-01
      3  -0.366447D+01 -0.295590D+00 -0.226875D+00  0.819777D-01  0.589615D+00
               211           212           213           214           215 
      1   0.934300D-01 -0.278171D+01 -0.192847D+00 -0.374609D+00 -0.958152D-01
      2  -0.278171D+01  0.141485D+01  0.281087D+00 -0.958152D-01 -0.195925D+00
      3  -0.192847D+00  0.281087D+00 -0.112674D+01 -0.652297D+00  0.344025D+00
               216           217           218           219           220 
      1  -0.652297D+00  0.245440D+01 -0.156925D+01 -0.386635D+00 -0.161551D+01
      2   0.344025D+00 -0.156925D+01 -0.306372D+01  0.470627D+00  0.122626D+01
      3   0.542308D-01 -0.386635D+00  0.470627D+00 -0.222584D+01  0.667094D+00
               221           222           223           224           225 
      1   0.122626D+01  0.667094D+00 -0.454401D-01  0.530783D+00  0.112769D+01
      2  -0.771388D+00 -0.339308D+00  0.530783D+00  0.580503D-01  0.439626D+01
      3  -0.339308D+00  0.593451D+01  0.112769D+01  0.439626D+01  0.399699D+00
               226           227           228           229           230 
      1   0.781603D+00  0.126722D+01 -0.435913D-01  0.427244D+00  0.792240D+00
      2   0.126722D+01  0.247970D+01 -0.548185D-01  0.792240D+00  0.106698D+02
      3  -0.435913D-01 -0.548185D-01  0.198242D+00  0.639044D-01  0.764692D-01
               231           232           233           234           235 
      1   0.639044D-01 -0.659804D-01 -0.586133D-01 -0.207984D+00 -0.716823D+01
      2   0.764692D-01 -0.586133D-01  0.303992D-01  0.261024D+00  0.460389D+01
      3   0.984747D+00 -0.207984D+00  0.261024D+00  0.496303D-01  0.637014D+00
               236           237           238           239           240 
      1   0.460389D+01  0.637014D+00  0.532089D+01 -0.508956D+01 -0.464698D+00
      2  -0.406303D+01 -0.410745D+00 -0.508956D+01  0.598441D+01  0.500350D+00
      3  -0.410745D+00 -0.759853D+00 -0.464698D+00  0.500350D+00  0.868115D+00
               241           242           243           244           245 
      1   0.799365D+00 -0.492116D+00  0.229514D+00 -0.132562D+01 -0.205844D+01
      2  -0.492116D+00  0.469356D+00  0.296867D+00 -0.205844D+01 -0.116717D+01
      3   0.229514D+00  0.296867D+00  0.453782D-01  0.429826D-01  0.144056D+00
               246           247           248           249           250 
      1   0.429826D-01 -0.348708D+01 -0.312084D+01  0.127305D+00  0.382401D-02
      2   0.144056D+00 -0.312084D+01 -0.676408D+01  0.767558D-01  0.111518D+00
      3  -0.100446D+00  0.127305D+00  0.767558D-01 -0.684259D+00 -0.312796D-01
               251           252           253           254           255 
      1   0.111518D+00 -0.312796D-01  0.426761D+00  0.527114D+00 -0.562837D+00
      2  -0.658166D-01  0.960078D-01  0.527114D+00  0.491514D+00  0.677177D-01
      3   0.960078D-01 -0.861639D-02 -0.562837D+00  0.677177D-01  0.978957D+00
               256           257           258           259           260 
      1  -0.108771D+01 -0.179367D+01 -0.117376D+01 -0.387783D+01 -0.229117D+01
      2  -0.179367D+01 -0.269648D+01 -0.191032D+01 -0.229117D+01 -0.261538D+01
      3  -0.117376D+01 -0.191032D+01 -0.243921D+01 -0.231882D+01 -0.279579D+01
               261           262           263           264           265 
      1  -0.231882D+01 -0.161206D+02 -0.148646D+01  0.107649D+01  0.110349D+01
      2  -0.279579D+01 -0.148646D+01 -0.114925D+01  0.836037D-01 -0.107242D+01
      3  -0.484365D+01  0.107649D+01  0.836037D-01 -0.127715D+01 -0.900132D-01
               266           267           268           269           270 
      1  -0.107242D+01 -0.900132D-01  0.116812D+01  0.913499D-01 -0.149562D+01
      2   0.170309D+00  0.108004D+00  0.913499D-01  0.123072D+00 -0.485648D+00
      3   0.108004D+00 -0.813466D-01 -0.149562D+01 -0.485648D+00  0.312915D+00
               271           272           273           274           275 
      1   0.117790D+01  0.793572D+00  0.319265D+00 -0.871038D+00 -0.155831D+01
      2   0.793572D+00  0.976475D+00 -0.689313D+00 -0.155831D+01 -0.299199D+01
      3   0.319265D+00 -0.689313D+00  0.162283D+01  0.891069D+00  0.228236D+01
               276           277           278           279 
      1   0.891069D+00  0.295059D+01  0.168346D+01 -0.195563D+01
      2   0.228236D+01  0.168346D+01  0.261936D+01 -0.304051D+01
      3  -0.276758D+01 -0.195563D+01 -0.304051D+01  0.485024D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.236342D+01  0.297433D+01 -0.357924D+00  0.544807D+01 -0.333355D+01
      2   0.797293D+01 -0.816436D-01 -0.695758D+00  0.108653D+02 -0.124315D+01
      3   0.363219D+02  0.267972D+02 -0.184750D+01  0.553450D+02 -0.183319D+02
                 6             7             8             9            10 
      1  -0.763645D+00 -0.437128D+01  0.664948D+01  0.315261D+00 -0.895987D+00
      2   0.139044D+01 -0.196830D+02  0.235752D+01  0.163175D+01 -0.130479D+02
      3  -0.387834D+01 -0.322534D+00 -0.333497D+01  0.221792D+01 -0.221324D+02
                11            12            13            14            15 
      1   0.415805D+01  0.777448D+00  0.253167D+01 -0.539514D+00  0.683118D+00
      2   0.720573D+00 -0.549936D+01 -0.115271D+02  0.129374D+01 -0.608046D-01
      3   0.332051D+02  0.166340D+01  0.413570D+02 -0.208596D+02 -0.352566D+01
                16            17            18            19            20 
      1  -0.356659D+01  0.797758D+01  0.636210D+00 -0.342126D+01 -0.694686D+00
      2  -0.216470D+02  0.157408D+01  0.186307D+01 -0.143450D+02  0.216944D+01
      3   0.322460D+01 -0.378395D+01 -0.182193D+01 -0.468282D+02 -0.183971D+02
                21            22            23            24            25 
      1   0.103666D+01 -0.702303D+00 -0.106355D+01 -0.280531D+01 -0.650603D+01
      2  -0.149613D-01  0.715661D+01 -0.131165D+01  0.200422D+01 -0.168212D+02
      3   0.261461D+01  0.162072D+02 -0.267314D+01 -0.368555D+00  0.316968D+01
                26            27            28            29            30 
      1   0.465607D+00 -0.150009D+01 -0.599492D+00  0.120292D+01 -0.222742D+00
      2   0.694987D+01  0.134615D+01  0.183396D+02 -0.162160D+01  0.568185D+00
      3   0.189240D+01 -0.298341D+01  0.203263D+02  0.537832D+01 -0.712515D+00
                31            32            33            34            35 
      1   0.527784D+01  0.249940D+01  0.247311D+01 -0.201940D+01  0.137374D+02
      2  -0.314295D+00  0.445914D+00 -0.172415D+01 -0.161036D+02  0.165461D+01
      3   0.230311D+02  0.319218D+01  0.641986D+00  0.135864D+01 -0.149930D+01
                36            37            38            39            40 
      1   0.962321D+00 -0.250516D+00 -0.203250D+01  0.423802D+01 -0.107219D+01
      2   0.179192D+01  0.426250D+00 -0.287213D+00  0.198512D+01 -0.447862D+01
      3   0.354478D+01 -0.236394D+02 -0.388212D+01  0.415135D+00 -0.671842D+01
                41            42            43            44            45 
      1  -0.212214D+01 -0.738662D+00  0.147742D+02  0.637771D+01 -0.648771D+00
      2   0.655436D+00 -0.117951D+01 -0.109640D+02 -0.625533D+01  0.122428D+01
      3  -0.844708D+01 -0.141776D+01 -0.772173D+00 -0.145090D+01 -0.442771D+01
                46            47            48            49            50 
      1   0.145943D+01 -0.739692D+00 -0.441590D+01 -0.146127D+01  0.176905D+01
      2  -0.274536D+01 -0.371297D-01  0.133316D+01 -0.331366D+00  0.435557D+00
      3   0.430795D+02 -0.260695D+02 -0.239451D+01 -0.125744D+02  0.208506D+02
                51            52            53            54            55 
      1  -0.256654D+01 -0.811416D+01 -0.207523D+01  0.218352D+01  0.192792D+01
      2  -0.858542D+00 -0.177815D+02 -0.590753D+00  0.774403D+00 -0.893763D+00
      3   0.169844D+01 -0.393377D+01  0.268818D+01  0.551323D+01  0.277877D+02
                56            57            58            59            60 
      1  -0.331776D+01 -0.595727D+01  0.184324D+00  0.193589D+01 -0.307410D+01
      2  -0.134647D+01 -0.530293D+01  0.663319D+00 -0.477975D+00 -0.377795D+01
      3  -0.144096D+02 -0.828774D+00 -0.398251D+00  0.200436D+02  0.241339D+00
                61            62            63            64            65 
      1  -0.704807D+01 -0.336063D+01  0.122534D+01 -0.560782D+00  0.326826D-01
      2  -0.223864D+02 -0.602168D+01  0.185476D+01 -0.673060D-01  0.465626D+00
      3  -0.135030D+01  0.155535D+01  0.122299D+02  0.935783D-01  0.318985D+00
                66            67            68            69            70 
      1  -0.123183D+01 -0.586216D+00 -0.162861D+01 -0.427166D+01  0.120912D+00
      2   0.334278D+00  0.669884D+00  0.530846D+00  0.162396D+01 -0.227090D+01
      3   0.123360D+00  0.549034D+01 -0.480331D+01 -0.224094D-01 -0.997763D-02
                71            72            73            74            75 
      1   0.207589D+01  0.225346D+00 -0.637427D+00 -0.582853D+00  0.287998D+01
      2  -0.723585D+00  0.250253D-02  0.200936D+01 -0.936273D+00  0.172851D+01
      3  -0.197114D+00  0.440084D+00 -0.960437D+01 -0.314671D+00  0.817468D+00
                76            77            78            79            80 
      1  -0.101824D+01  0.142164D+01 -0.296181D+01 -0.188834D+01  0.159485D+01
      2  -0.132508D+01  0.106873D+01 -0.252879D+01 -0.275810D+01  0.128459D+00
      3   0.198851D+01  0.263380D+01  0.540897D-01  0.190671D+01  0.919227D-01
                81            82            83            84            85 
      1   0.617820D-01  0.798893D+00  0.911986D+00 -0.130293D+01  0.392299D+00
      2   0.346907D-02 -0.299569D+00 -0.358368D+00  0.666317D+00 -0.265797D+00
      3   0.462754D+00  0.557142D+01  0.190778D+01 -0.273277D+00  0.568207D+01
                86            87            88            89            90 
      1   0.279042D+01 -0.478266D+01  0.113669D+01  0.205603D+01 -0.385258D-01
      2  -0.525020D+00  0.104450D+01 -0.813151D+00  0.987163D+00  0.605335D-01
      3   0.368983D+01  0.884989D-01 -0.507065D+00 -0.239131D+00 -0.107279D+01
                91            92            93            94            95 
      1  -0.233253D+01  0.774563D+00  0.698671D+00  0.230355D+01  0.195387D+01
      2  -0.134619D+02  0.780618D+00 -0.629728D+01 -0.120288D+01 -0.118664D+01
      3  -0.120681D+02 -0.477648D+01  0.420869D-01  0.105641D+02  0.226386D+02
                96            97            98            99           100 
      1  -0.259417D+01  0.241488D+01  0.348370D+01 -0.580849D+00  0.415680D+01
      2   0.185219D+01 -0.355582D+02  0.392382D+01 -0.357419D+01 -0.120031D+02
      3  -0.332248D+00  0.914503D-01  0.493068D+00 -0.785543D+01  0.148404D+02
               101           102           103           104           105 
      1  -0.226415D+01  0.915607D+00  0.930673D-01 -0.109344D+02 -0.677780D+01
      2  -0.454763D+01  0.206175D+02 -0.351928D+01  0.630147D+01 -0.101939D+02
      3  -0.562534D+01 -0.478987D+00 -0.828724D+00 -0.233355D+02 -0.601278D+01
               106           107           108           109           110 
      1  -0.887027D+00 -0.111607D+01  0.676066D+01  0.683686D+01 -0.187607D+01
      2   0.154018D+02 -0.852715D+01  0.849544D+01  0.148641D+02 -0.127308D+01
      3  -0.351302D+01 -0.469002D+01  0.101392D+02  0.339858D+00  0.135556D+02
               111           112           113           114           115 
      1  -0.891219D+01 -0.120279D+02  0.266029D+01 -0.143902D+02 -0.778707D+01
      2   0.126253D+01 -0.168531D+00  0.137716D+01  0.845984D+01  0.145255D+02
      3   0.155428D+01  0.181229D+02 -0.150333D+02  0.178629D+01  0.757373D+01
               116           117           118           119           120 
      1  -0.475020D+01 -0.295617D+01 -0.630968D+00 -0.685263D+00 -0.345046D+00
      2   0.957558D+00  0.649643D-02 -0.381026D+00  0.380846D+00  0.360957D+01
      3  -0.205966D+00  0.534055D+01 -0.763384D+01 -0.282652D+01  0.139918D+00
               121           122           123           124           125 
      1  -0.911205D+00 -0.356872D+01 -0.270482D+01 -0.311577D+00  0.456109D+00
      2   0.118649D+01  0.353469D+00  0.497188D+01  0.216945D+01  0.241866D+01
      3  -0.997383D+00 -0.235791D+02  0.995664D+00  0.914602D+00  0.862509D-02
               126           127           128           129           130 
      1   0.239615D+00 -0.219074D+01 -0.348132D+01 -0.591275D-01 -0.274828D+01
      2  -0.463903D+00  0.122038D+02  0.170514D+01  0.743612D+01  0.168505D+01
      3  -0.184658D+01 -0.534737D+01 -0.827798D+01  0.800406D+00 -0.501140D+01
               131           132           133           134           135 
      1  -0.506502D-01 -0.180795D+00  0.728021D+00  0.878908D+00 -0.807796D+00
      2   0.244974D+00  0.277758D+01  0.190310D+01  0.764956D+00  0.342856D+00
      3  -0.428789D+00  0.190057D+01  0.495300D+00  0.174877D+01 -0.143049D+01
               136           137           138           139           140 
      1  -0.176674D+01  0.294470D+01 -0.949787D+00  0.104287D+01 -0.201813D+01
      2  -0.668626D+01  0.340275D+01 -0.132211D+02  0.252226D+01 -0.615196D+01
      3  -0.269390D+01  0.256154D+01 -0.195289D+01  0.198591D+01 -0.242647D+01
               141           142           143           144           145 
      1   0.186939D+01 -0.417493D-01  0.498462D+01 -0.348529D+01  0.248360D+01
      2   0.108578D+02 -0.611133D+01  0.671221D+01 -0.277455D+02 -0.230930D+00
      3   0.549418D+01  0.214869D+00  0.456625D+01 -0.605133D+01  0.448248D+01
               146           147           148           149           150 
      1   0.246990D+00 -0.527775D+00 -0.171847D+00  0.140599D+02  0.337474D+00
      2  -0.994622D+00 -0.160579D+01 -0.100816D+01 -0.572832D+01 -0.686517D+01
      3   0.258305D+00 -0.677805D+00  0.151356D+01  0.264094D+02  0.624920D+01
               151           152           153           154           155 
      1  -0.667271D+00  0.245900D+01  0.119192D+01 -0.493874D+01  0.258300D+01
      2  -0.103675D+01 -0.208749D+01 -0.296200D+01 -0.880372D+01  0.107786D+01
      3  -0.197397D+01  0.252301D+01  0.299849D+01  0.127579D+02 -0.224688D+02
               156           157           158           159           160 
      1   0.451416D+01  0.841745D+01 -0.376630D+01 -0.832344D+00  0.169521D+01
      2   0.236271D+02 -0.276160D+01 -0.191067D+01 -0.102168D+02  0.515480D+01
      3   0.387583D+00 -0.186666D+02  0.188066D+02 -0.176947D+01  0.401060D-01
               161           162           163           164           165 
      1   0.295324D+01 -0.689900D+00 -0.840656D+01  0.229055D+01  0.905278D+00
      2  -0.306263D+01 -0.267349D+01 -0.118711D+02  0.462473D+01  0.209583D+01
      3  -0.678895D+00  0.305862D+01  0.114233D+02 -0.456765D+01  0.498867D+00
               166           167           168           169           170 
      1   0.619961D+01  0.438538D-02  0.458848D+01 -0.976164D+00  0.938987D+01
      2   0.707686D+01  0.572489D+01 -0.313853D+01 -0.785184D+01  0.132534D+01
      3  -0.272632D+01 -0.135072D+00 -0.786474D+01 -0.215920D+01 -0.254081D+01
               171           172           173           174           175 
      1  -0.900615D+00  0.821442D+01 -0.266483D+01  0.188703D+01 -0.675308D+01
      2   0.266534D+02  0.231583D+02 -0.388187D+01 -0.710954D+01 -0.622215D+01
      3  -0.197221D+01 -0.916454D+01  0.267443D+01 -0.115242D+01  0.721224D+01
               176           177           178           179           180 
      1   0.549144D+00 -0.254392D+01  0.238222D+01 -0.708597D+00  0.110021D+01
      2   0.348375D+01  0.280410D+01 -0.881890D+00  0.489159D+00  0.343866D+01
      3  -0.104696D+01 -0.102666D+01 -0.450641D+01  0.350078D+00 -0.181770D+01
               181           182           183           184           185 
      1  -0.294035D+00  0.172932D+01  0.617261D+01 -0.112720D+01 -0.143023D+01
      2  -0.125827D+01 -0.110915D+00  0.804745D+01  0.101748D+01  0.161188D+01
      3  -0.243589D+02 -0.875593D+01  0.128992D+01 -0.570334D+01 -0.275632D+02
               186           187           188           189           190 
      1  -0.110578D+01  0.166911D+02  0.648198D+01 -0.241464D+01 -0.136537D+01
      2  -0.259295D+01  0.194856D+01 -0.120538D+02 -0.225236D+01 -0.737071D+01
      3  -0.383716D+00  0.269639D+00 -0.679916D+00 -0.163859D+01 -0.221161D+02
               191           192           193           194           195 
      1   0.424982D+01  0.103572D+01  0.496488D+01 -0.907535D+00  0.402691D+01
      2  -0.361929D+00  0.177731D+01  0.284148D+01 -0.159910D+01 -0.872918D+00
      3   0.186591D+02  0.205692D+01  0.582669D+02  0.238343D+02 -0.413348D+01
               196           197           198           199           200 
      1  -0.299404D+01  0.138216D+02  0.608957D+00  0.311266D+00 -0.301854D+01
      2   0.144158D+01 -0.174877D+01 -0.171797D+01  0.912179D+01  0.296216D-01
      3   0.356839D+01 -0.233921D+01 -0.174672D+00  0.116233D+02 -0.218806D+02
               201           202           203           204           205 
      1  -0.395436D+00 -0.125388D+01  0.103874D+01 -0.332229D+01 -0.111070D+01
      2   0.285710D+01 -0.275805D+01 -0.362380D+00  0.583169D+01 -0.218993D+02
      3  -0.170788D+01 -0.181881D+02 -0.936745D-01  0.202823D+01 -0.251413D+01
               206           207           208           209           210 
      1   0.258337D+01  0.374008D+00  0.122173D+01 -0.400807D+01 -0.132500D+01
      2   0.125892D+02  0.197962D+01  0.699643D+00  0.546664D+00  0.103232D+02
      3   0.207591D+01 -0.609674D+01  0.170747D+02 -0.402572D+02 -0.202448D+01
               211           212           213           214           215 
      1  -0.526732D+00 -0.327769D-01 -0.787955D+01  0.366878D+01 -0.149905D+00
      2   0.846019D+00 -0.686492D+00  0.858782D+01 -0.423364D+01 -0.427083D+01
      3  -0.462962D+01  0.945912D+00  0.973676D+00 -0.193768D+01  0.339279D+01
               216           217           218           219           220 
      1  -0.377605D+00 -0.180933D+01  0.704710D+00 -0.357406D+01  0.592752D+00
      2  -0.608507D+00  0.209490D+01 -0.240776D+01  0.123105D+02 -0.324477D+01
      3   0.108796D+01 -0.335761D+02 -0.135865D+02  0.576628D+01  0.706079D+00
               221           222           223           224           225 
      1   0.129253D+01  0.111081D+02  0.118800D+02  0.124404D+02  0.169977D+01
      2   0.113676D+01 -0.343786D+02 -0.369841D+01 -0.238424D+02 -0.267032D+01
      3   0.196096D+02 -0.178302D+01  0.465465D+01 -0.688104D+00  0.314133D+02
               226           227           228           229           230 
      1   0.282186D+00  0.232487D+00 -0.149675D+01 -0.151861D+00 -0.229238D+00
      2   0.271256D-01  0.117205D+00  0.171867D+00 -0.141444D+00 -0.378041D+00
      3   0.737270D+01  0.619969D+01 -0.397396D+00  0.549715D+01  0.225473D+02
               231           232           233           234           235 
      1  -0.525482D+01  0.802073D+00  0.215402D+01 -0.126037D+00 -0.961987D+00
      2  -0.777657D+00  0.163017D+00  0.622982D-01 -0.104357D+00 -0.151488D+01
      3   0.330310D+00 -0.542109D+00 -0.216160D+00 -0.450605D+00 -0.363796D+00
               236           237           238           239           240 
      1   0.238148D+00  0.283054D+01  0.287742D+00 -0.101984D+00 -0.330525D+01
      2   0.100417D+01  0.405104D+01  0.103559D+01 -0.126774D+01 -0.432842D+01
      3  -0.720026D+01 -0.134192D+00 -0.624499D+01  0.126157D+02  0.891303D+00
               241           242           243           244           245 
      1  -0.272935D+01  0.103345D+01 -0.185241D-03  0.325658D+00  0.304105D+00
      2  -0.305178D+01 -0.116606D+01 -0.186070D+00 -0.357775D+00 -0.557074D+00
      3   0.202102D+00  0.757271D+00  0.153904D+01 -0.739454D+00 -0.160620D+01
               246           247           248           249           250 
      1  -0.611653D+00  0.516404D+00  0.228290D+00 -0.339312D+01 -0.278386D+00
      2   0.274350D+00 -0.584328D+00 -0.324728D+00  0.220186D+01 -0.151808D+01
      3   0.930975D-01  0.657202D+00 -0.162279D+02 -0.200358D+00  0.125961D+00
               251           252           253           254           255 
      1   0.166485D+01  0.559943D-01 -0.431201D+00  0.267996D+00  0.226267D+01
      2  -0.141162D+01  0.906116D-01  0.511281D+01  0.160976D+00 -0.462533D+01
      3  -0.420356D+00  0.549774D+00  0.254953D+00  0.517916D+01  0.188029D+01
               256           257           258           259           260 
      1  -0.139096D+01 -0.305782D+01 -0.562634D+01 -0.448733D+01 -0.305399D+01
      2   0.566795D+01  0.100545D+02  0.136532D+02  0.710569D+01  0.150823D+02
      3  -0.566147D+01 -0.187028D+02 -0.116511D+02 -0.700959D+01 -0.167855D+02
               261           262           263           264           265 
      1  -0.986237D+01  0.107549D+01 -0.471648D+00 -0.171194D+01 -0.252351D+00
      2   0.260077D+02 -0.249359D+01 -0.142122D+00  0.957230D+01  0.273174D+00
      3  -0.187087D+02  0.109346D+02 -0.860620D+01 -0.941577D+00 -0.505398D+01
               266           267           268           269           270 
      1   0.198605D+00 -0.908535D+00 -0.190103D+01 -0.365778D+00  0.194977D+00
      2  -0.352814D+00  0.588265D+00  0.646495D+01  0.246644D+01 -0.152409D+01
      3   0.234980D+01  0.614413D+00 -0.967606D+00  0.929694D+00 -0.209271D+01
               271           272           273           274           275 
      1   0.359901D-01 -0.897861D-02  0.324298D+01  0.541668D+00  0.133027D+01
      2  -0.483705D+01  0.281224D+01 -0.774893D+01 -0.365404D+01 -0.112123D+02
      3   0.314285D+00  0.833480D+01 -0.567226D+01 -0.404694D+01 -0.208109D+02
               276           277           278           279 
      1  -0.483081D+01 -0.294083D+01 -0.166046D+01  0.760580D+01
      2   0.148453D+02  0.461420D+01  0.156498D+02 -0.244460D+02
      3   0.137432D+02  0.420908D+01  0.166770D+02 -0.200941D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.716124D+02  0.231835D+02  0.455484D+01 -0.887794D+02 -0.329060D+01
      2   0.321200D+02 -0.148206D+02 -0.269729D+01  0.353344D+02  0.154967D+02
      3   0.394925D+02 -0.836288D+01 -0.185755D+01  0.534450D+02 -0.122061D+02
      4  -0.867255D+01  0.184883D+02  0.127306D+01  0.112998D+02 -0.236120D+02
      5   0.134300D+01 -0.116305D+01 -0.271319D+01 -0.332295D+01  0.170808D+01
      6   0.652910D+00 -0.149053D+01  0.111876D+01  0.213310D+01 -0.169517D+01
                 6             7             8             9            10 
      1   0.702546D+01  0.521927D+01 -0.156382D+01 -0.100522D+02  0.792472D+02
      2  -0.245031D+01 -0.278614D+01  0.199620D+01 -0.414403D+00 -0.223241D+02
      3  -0.457515D+01 -0.243313D+01 -0.432386D+00  0.104666D+02 -0.569231D+02
      4  -0.141650D+01  0.582907D+00 -0.164643D+01 -0.187002D+01  0.349453D+02
      5   0.442921D+01  0.107870D+01 -0.958196D+00  0.169755D+01 -0.107433D+01
      6  -0.150772D+00  0.328354D+01  0.499750D+01 -0.973632D+00 -0.325757D+01
                11            12            13            14            15 
      1   0.194382D+02 -0.725562D+01  0.973887D+02 -0.211919D+02 -0.758143D+01
      2  -0.148800D+02  0.130475D+01 -0.365684D+02  0.141447D+02  0.332405D+01
      3  -0.455823D+01  0.595088D+01 -0.608202D+02  0.704725D+01  0.425739D+01
      4   0.124765D+02 -0.143680D+01 -0.251251D+02  0.199040D+02  0.180899D+01
      5  -0.110263D+01 -0.130026D+02  0.226848D+01 -0.723825D+00 -0.200526D+01
      6   0.480183D+00 -0.526251D+00 -0.639938D+00  0.213224D+01 -0.203584D+01
                16            17            18            19            20 
      1  -0.498790D+01 -0.159645D+01 -0.599565D+01  0.446825D+02 -0.296274D+02
      2   0.387376D+00  0.108895D+01 -0.265318D+01 -0.124856D+02  0.168461D+02
      3   0.460053D+01  0.507502D+00  0.864883D+01 -0.321969D+02  0.127813D+02
      4  -0.284908D+01 -0.346073D+00  0.488772D+01 -0.214019D+01 -0.245647D+02
      5   0.193918D+01  0.336641D+01  0.265235D+01  0.499228D+00  0.163610D+01
      6   0.256786D+01  0.391074D+01 -0.191847D+00 -0.120692D+01  0.505188D+01
                21            22            23            24            25 
      1  -0.753297D+01  0.140419D+02  0.194638D+02  0.306113D+01 -0.395349D+01
      2   0.357504D+01 -0.264966D+02 -0.248939D+02 -0.210282D+00  0.199458D-01
      3   0.395793D+01  0.124548D+02  0.543015D+01 -0.285085D+01  0.393354D+01
      4   0.107219D+00  0.823793D+01 -0.209441D+01 -0.278361D+00  0.187953D+01
      5  -0.303939D+01 -0.895962D+00 -0.182392D-01  0.782089D+01  0.120318D+02
      6  -0.501116D+00  0.662584D+00 -0.166255D+01  0.563634D+01  0.338644D+01
                26            27            28            29            30 
      1   0.766549D+01 -0.116564D+02  0.186344D+02 -0.512641D+01  0.434535D+01
      2  -0.278499D+01  0.522598D-01 -0.378103D+02  0.486240D+01 -0.817673D+00
      3  -0.488050D+01  0.116041D+02  0.191759D+02  0.264016D+00 -0.352768D+01
      4   0.182807D+01  0.650796D+01 -0.764678D+00  0.134479D+02  0.904117D-01
      5   0.844588D+01  0.226651D+01 -0.651320D+01  0.162740D+01  0.873399D+01
      6   0.131283D+02 -0.231430D+01  0.992796D+00 -0.228129D+01  0.246920D+01
                31            32            33            34            35 
      1   0.405359D+02 -0.472507D+02 -0.106913D+01  0.584757D+01 -0.223139D+01
      2  -0.278446D+02  0.412926D+02  0.143850D+01 -0.677792D+00  0.120568D+01
      3  -0.126913D+02  0.595813D+01 -0.369364D+00 -0.516978D+01  0.102572D+01
      4  -0.276795D+02 -0.160633D+02  0.141184D+00 -0.256277D+01 -0.318506D+00
      5  -0.132059D+01  0.159045D+01 -0.299532D+01  0.331342D+02 -0.356102D+01
      6   0.682688D+00  0.455753D+01 -0.382188D+01  0.402897D+01  0.325882D+01
                36            37            38            39            40 
      1   0.320331D+00 -0.200147D+02  0.531913D+02  0.451178D+01 -0.388895D+02
      2  -0.119293D+02  0.113420D+02 -0.359490D+02 -0.108291D+01  0.395666D+02
      3   0.116090D+02  0.867266D+01 -0.172423D+02 -0.342887D+01 -0.677098D+00
      4  -0.582045D+00  0.250363D+02  0.567365D+01 -0.256957D+01  0.163018D+02
      5  -0.661440D+00  0.478576D-01 -0.431403D+01  0.442685D+01  0.188439D+01
      6  -0.920438D+00 -0.340383D+01 -0.416739D+01 -0.883029D+01 -0.109015D+01
                41            42            43            44            45 
      1   0.258357D+02  0.814075D+00  0.256302D+01 -0.620164D+01 -0.120540D+02
      2  -0.240005D+02 -0.223801D+01  0.299897D+01  0.140006D+01 -0.790885D+00
      3  -0.183524D+01  0.142393D+01 -0.556199D+01  0.480158D+01  0.128449D+02
      4   0.245852D+02  0.414083D+00 -0.376037D+01  0.141053D+01 -0.652907D+01
      5  -0.100563D+01 -0.716842D+01  0.139433D+02 -0.704429D+01 -0.228114D+01
      6  -0.369291D+01  0.171682D+01 -0.169375D+02  0.904942D+01  0.459741D+01
                46            47            48            49            50 
      1   0.259824D+02 -0.431648D+02 -0.623487D+01  0.133420D+02  0.832370D+01
      2  -0.203285D+02  0.281280D+02  0.200991D+01 -0.102129D+02 -0.178430D+02
      3  -0.565393D+01  0.150369D+02  0.422495D+01 -0.312903D+01  0.951929D+01
      4  -0.306467D+02 -0.139710D+02  0.196612D+01  0.175461D+02 -0.924507D+01
      5   0.343070D+01  0.196621D+01  0.106407D+01  0.233224D+00 -0.762019D+00
      6   0.227396D+01  0.616462D+01  0.722914D+01 -0.155223D+01 -0.380010D+00
                51            52            53            54            55 
      1  -0.755572D+00 -0.389323D+01  0.276608D+01 -0.204733D+02 -0.144100D+02
      2  -0.753803D+00  0.240452D+01 -0.488987D+01  0.810527D+01  0.637042D+00
      3   0.150938D+01  0.148871D+01  0.212379D+01  0.123680D+02  0.137730D+02
      4  -0.114862D+01  0.322429D+01  0.289116D+01  0.137532D+01  0.217961D+02
      5  -0.340271D-01  0.389859D+01 -0.360940D-01  0.215615D+01 -0.373644D+01
      6   0.686903D+01  0.284636D+01  0.197504D+02  0.174743D+01  0.121041D+01
                56            57            58            59            60 
      1  -0.331324D+02 -0.265224D+01 -0.105927D+01  0.182867D+02  0.713694D+00
      2   0.298671D+02  0.153877D+01 -0.374612D+01 -0.229918D+02 -0.420121D+00
      3   0.326523D+01  0.111347D+01  0.480539D+01  0.470503D+01 -0.293573D+00
      4  -0.584576D+02 -0.260813D+01  0.147636D+02 -0.926955D+01 -0.448499D-01
      5   0.140151D+01 -0.936122D+01  0.910911D+00 -0.281276D+00 -0.559106D+01
      6   0.304906D+01  0.108689D+02 -0.393417D+00 -0.503704D+00  0.827384D+01
                61            62            63            64            65 
      1  -0.954441D+00  0.284034D+01 -0.269635D+02 -0.104339D+01 -0.402547D+01
      2   0.120271D+01 -0.345907D+01  0.137938D+02  0.522284D+01  0.641223D+01
      3  -0.248267D+00  0.618729D+00  0.131697D+02 -0.417945D+01 -0.238676D+01
      4  -0.222127D+01  0.758209D+01 -0.111101D+02  0.838644D+01  0.117024D+02
      5  -0.141560D+01 -0.155533D+02  0.321523D+01 -0.804903D+00 -0.610887D+00
      6   0.295930D+01  0.241520D+02 -0.171342D+01 -0.116319D+01 -0.144617D+01
                66            67            68            69            70 
      1   0.150472D+00 -0.803833D+01 -0.309808D+02  0.133822D+01 -0.104647D+01
      2  -0.582832D-01  0.123670D+02  0.404989D+02 -0.852096D+00  0.643734D+00
      3  -0.921886D-01 -0.432862D+01 -0.951807D+01 -0.486121D+00  0.402735D+00
      4  -0.420418D+00  0.133378D+02  0.220342D+02 -0.517755D+00 -0.309513D+00
      5   0.148426D+01 -0.605239D+00  0.281881D+00  0.264930D+01 -0.203286D+00
      6   0.157671D+01 -0.169332D+01 -0.484699D+01  0.658890D+01  0.143978D+01
                71            72            73            74            75 
      1  -0.227950D-02 -0.309590D+01  0.704053D+01  0.224084D+01  0.291830D-01
      2  -0.434776D-01  0.331988D+01  0.707898D+00 -0.818619D+01  0.194944D+00
      3   0.457571D-01 -0.223975D+00 -0.774842D+01  0.594534D+01 -0.224127D+00
      4  -0.512958D+00  0.919708D+00 -0.212805D+02  0.177762D+02  0.163443D+01
      5   0.263317D+00 -0.252859D+00 -0.503324D+01  0.202957D+01  0.465588D+01
      6   0.273472D+01 -0.403266D+00  0.293604D+01 -0.249069D+01 -0.271000D+01
                76            77            78            79            80 
      1   0.460654D+01 -0.130868D+02 -0.160594D+01 -0.121387D+01 -0.517719D+00
      2  -0.126081D+02  0.222366D+02  0.116522D+01  0.114172D+00  0.785880D+00
      3   0.800160D+01 -0.914979D+01  0.440721D+00  0.109970D+01 -0.268161D+00
      4   0.234473D+02 -0.254048D+02 -0.212463D+01  0.184369D+01 -0.140772D+01
      5   0.293850D+01 -0.240356D+01 -0.394962D+01  0.485874D+00 -0.135910D+01
      6  -0.366580D+01  0.473809D+01  0.526370D+01  0.690027D+00  0.229793D+01
                81            82            83            84            85 
      1  -0.546814D-01 -0.390659D+01 -0.810890D+01  0.291666D+00 -0.573125D+01
      2   0.834271D+00  0.642433D+01  0.115630D+02 -0.253322D+00  0.727079D+01
      3  -0.779590D+00 -0.251775D+01 -0.345406D+01 -0.383444D-01 -0.153955D+01
      4  -0.232337D+01  0.463303D+01  0.122884D+02  0.250326D+00  0.800969D+01
      5  -0.392188D+00  0.874653D+00  0.123239D+01  0.193402D+01  0.789742D+00
      6   0.508169D+00  0.630464D+00  0.395723D+00  0.172441D+01  0.802709D+00
                86            87            88            89            90 
      1  -0.465885D+02 -0.102246D+01  0.744224D+00  0.120579D+00 -0.193197D+01
      2   0.611080D+02  0.565937D+00 -0.571452D+00 -0.120271D+00  0.212309D+01
      3  -0.145195D+02  0.456518D+00 -0.172772D+00 -0.308552D-03 -0.191116D+00
      4   0.145798D+02  0.389932D+00 -0.161750D+00 -0.679865D+00  0.205811D+01
      5   0.286977D+01  0.123569D+01  0.988481D+00  0.172418D+01  0.463795D-01
      6   0.456079D+01  0.773339D+01 -0.253873D-01  0.312649D+01 -0.191742D-01
                91            92            93            94            95 
      1  -0.156428D+02  0.599283D+01 -0.114431D+02  0.679979D+01  0.976295D+01
      2   0.234821D+02 -0.714363D+01 -0.612434D+00 -0.110350D+02 -0.179722D+02
      3  -0.783936D+01  0.115080D+01  0.120555D+02  0.423519D+01  0.820920D+01
      4   0.713109D+01 -0.126924D+01 -0.101021D+01 -0.399786D+01 -0.412918D+02
      5  -0.830192D+00 -0.222393D+01 -0.208465D+02 -0.142503D+02 -0.102803D+01
      6  -0.200688D+01  0.276494D+01  0.458942D+00 -0.468558D+00  0.560273D+01
                96            97            98            99           100 
      1  -0.696280D+01 -0.513744D+01 -0.599520D+00 -0.251212D+02 -0.676354D+02
      2   0.962254D+01 -0.411736D+01  0.530146D-01  0.190558D+02  0.364802D+02
      3  -0.265974D+01  0.925479D+01  0.546505D+00  0.606542D+01  0.311551D+02
      4  -0.107765D+01 -0.246980D+01 -0.118253D+01  0.673441D+01 -0.241297D+02
      5   0.447490D+01 -0.597019D+02  0.749883D+01  0.410270D+01  0.357257D+02
      6   0.165562D+01  0.164612D+01  0.817757D+00 -0.312968D+01  0.109669D+02
               101           102           103           104           105 
      1  -0.182107D+02  0.309263D+02 -0.293388D+02  0.109233D+02 -0.623455D+01
      2   0.723071D+01 -0.298099D+01  0.209094D+02 -0.713511D+01 -0.955671D+01
      3   0.109800D+02 -0.279453D+02  0.842945D+01 -0.378823D+01  0.157913D+02
      4   0.533127D+01 -0.249829D+00  0.228397D+01  0.377464D+02  0.104079D+02
      5   0.378618D+01  0.171094D+02  0.140641D+02  0.702115D+01 -0.152127D+02
      6  -0.333929D+01  0.211342D+01 -0.159296D+01 -0.180923D+02 -0.628537D+01
               106           107           108           109           110 
      1   0.309943D+01 -0.768468D+01  0.336472D+02 -0.951806D+02  0.197177D+02
      2   0.156842D+02 -0.457860D+01 -0.139894D+02  0.402850D+02 -0.267870D+01
      3  -0.187836D+02  0.122633D+02 -0.196577D+02  0.548955D+02 -0.170390D+02
      4   0.152814D+01  0.690429D+01 -0.146486D+02  0.333205D+02 -0.212253D+02
      5   0.408750D+02 -0.129511D+02 -0.154838D+02 -0.159990D+02  0.848108D+01
      6  -0.197867D+01 -0.358977D+01  0.137144D+02  0.666904D+01 -0.982519D+00
               111           112           113           114           115 
      1  -0.875529D+01  0.334611D+02 -0.127138D+02  0.345466D+01  0.322816D+02
      2   0.376268D+01 -0.874975D+01  0.923758D+01 -0.237138D+01 -0.226556D+02
      3   0.499261D+01 -0.247113D+02  0.347627D+01 -0.108329D+01 -0.962601D+01
      4   0.574576D+01 -0.350288D+01  0.207610D+02  0.212838D+00 -0.269040D+01
      5  -0.700872D+01  0.128997D+02 -0.137339D+01  0.451486D+01  0.315619D+02
      6   0.396478D+01 -0.177939D+01  0.304783D+01  0.139337D+01 -0.462243D+01
               116           117           118           119           120 
      1   0.130907D+01  0.313893D+02 -0.393811D+01  0.643915D+01  0.152391D+01
      2   0.105163D+01 -0.729022D+01  0.749928D+01 -0.147259D+01 -0.757669D+00
      3  -0.236070D+01 -0.240991D+02 -0.356117D+01 -0.496656D+01 -0.766238D+00
      4   0.380537D+01 -0.726781D+01  0.116571D+02  0.105829D+02 -0.909661D+00
      5  -0.687080D+01  0.641480D+01  0.496551D+00 -0.128777D+01  0.792223D+01
      6  -0.395170D+01 -0.393041D+01 -0.126739D+01 -0.103406D+01  0.219239D+00
               121           122           123           124           125 
      1   0.114177D+02 -0.131472D+02  0.274122D+01  0.342984D+01 -0.421663D+00
      2  -0.104337D+01  0.275329D+02 -0.149568D+01 -0.204750D+01  0.183194D+01
      3  -0.103744D+02 -0.143856D+02 -0.124554D+01 -0.138234D+01 -0.141028D+01
      4   0.185879D+02  0.489313D+02 -0.243112D+01 -0.654091D-01  0.442318D-01
      5  -0.116609D+01 -0.220419D+01  0.112784D+02  0.973231D+01  0.527216D+01
      6  -0.160798D+01 -0.630862D+01  0.497323D+01  0.161961D+01  0.575953D+01
               126           127           128           129           130 
      1   0.930121D+00  0.110462D+03  0.113184D+02 -0.198129D+02  0.206092D+02
      2  -0.379401D+00 -0.658839D+02 -0.541499D+01  0.177809D+02 -0.113334D+02
      3  -0.550721D+00 -0.445777D+02 -0.590340D+01  0.203192D+01 -0.927577D+01
      4   0.563740D+01  0.173390D+02  0.150660D+02 -0.332978D+01  0.181180D+02
      5  -0.196120D+01 -0.610629D+02 -0.528090D+01  0.296561D+02 -0.131234D+02
      6  -0.530541D+00 -0.735921D+01 -0.585735D+01  0.163400D+01 -0.625815D+01
               131           132           133           134           135 
      1   0.911573D+01 -0.231164D+01 -0.723466D+01  0.661550D+00  0.613942D+01
      2  -0.366644D+01  0.409636D+01  0.715833D+01  0.121541D+01 -0.663815D+01
      3  -0.544929D+01 -0.178472D+01  0.763313D-01 -0.187696D+01  0.498730D+00
      4   0.359788D+01 -0.521254D+01 -0.723550D+00 -0.214325D+01  0.344119D+01
      5  -0.679088D+01  0.819799D+01  0.154147D+02  0.326960D+01 -0.713451D+01
      6  -0.768637D+00  0.349459D+01  0.148447D+01  0.167460D+01 -0.190667D+01
               136           137           138           139           140 
      1  -0.445631D+01  0.697647D+01 -0.213085D+02  0.827398D+01 -0.965198D+01
      2  -0.699530D+00 -0.151216D+01 -0.196499D+01 -0.508631D+01  0.203764D+01
      3   0.515584D+01 -0.546432D+01  0.232735D+02 -0.318767D+01  0.761435D+01
      4   0.340001D+01 -0.422155D+01  0.302958D+01  0.173675D+01  0.440910D+01
      5  -0.780600D+00  0.381030D+00 -0.119521D+02 -0.598773D+01 -0.768908D+01
      6  -0.295478D+01  0.480570D+01 -0.444344D+01 -0.109373D+00 -0.603794D+01
               141           142           143           144           145 
      1   0.124352D+02 -0.956213D+01  0.812391D+01 -0.366214D+02  0.673273D+01
      2   0.356516D+01  0.345214D+01  0.205909D+01 -0.128626D+02 -0.168867D+01
      3  -0.160003D+02  0.610999D+01 -0.101830D+02  0.494839D+02 -0.504406D+01
      4  -0.103276D+02 -0.708338D+00 -0.912571D+01  0.115127D+02 -0.432459D+01
      5   0.164459D+02  0.611179D+01  0.862816D+01 -0.371796D+02 -0.381614D+01
      6   0.114725D+02  0.247760D-01  0.951235D+01 -0.119808D+02  0.191768D+01
               146           147           148           149           150 
      1  -0.459842D+01 -0.518524D+01 -0.126410D+02 -0.982818D+01 -0.300229D+01
      2   0.244756D+01  0.522498D+00  0.783840D+01  0.131973D+02 -0.275574D+01
      3   0.215085D+01  0.466274D+01  0.480259D+01 -0.336912D+01  0.575803D+01
      4   0.325873D+01  0.852722D+00  0.114563D+02 -0.470201D+02 -0.133245D+02
      5   0.217159D+01 -0.127139D+01  0.135996D+02 -0.123724D+02 -0.167074D+02
      6  -0.144471D+00  0.250760D-01 -0.443041D+01  0.259022D+02  0.112768D+02
               151           152           153           154           155 
      1  -0.735846D+00 -0.194449D+01 -0.657662D+01  0.194111D+03 -0.303122D+02
      2  -0.377474D+00 -0.345118D+00  0.762070D+00 -0.909346D+02  0.935537D+01
      3   0.111332D+01  0.228961D+01  0.581455D+01 -0.103176D+03  0.209569D+02
      4   0.162321D+01 -0.563667D+01 -0.499342D+01 -0.427505D+02  0.387695D+02
      5   0.827221D+00 -0.504007D+01 -0.370757D+01  0.336828D+02 -0.722811D+01
      6  -0.125750D+01  0.753650D+01  0.332958D+01 -0.553652D+01  0.423753D+01
               156           157           158           159           160 
      1   0.726097D+01 -0.409756D+02  0.349505D+02 -0.858301D+00  0.637794D+01
      2  -0.855644D+01  0.132045D+02 -0.933982D+01  0.175522D+01 -0.719566D+01
      3   0.129547D+01  0.277711D+02 -0.256106D+02 -0.896915D+00  0.817718D+00
      4  -0.368257D+01  0.544609D+02 -0.382807D+02  0.308077D+01 -0.290528D+01
      5   0.396714D+02 -0.921553D+01  0.798293D+01 -0.134875D+02  0.328583D+02
      6  -0.233764D+01  0.953873D+01 -0.650149D+01  0.588422D+01 -0.410247D+01
               161           162           163           164           165 
      1  -0.102482D+01  0.174324D+02  0.556340D+02 -0.984714D+01  0.166423D+02
      2   0.127288D+01 -0.124843D+02 -0.395869D+02  0.403562D+01 -0.108766D+02
      3  -0.248066D+00 -0.494809D+01 -0.160471D+02  0.581152D+01 -0.576579D+01
      4   0.177059D-01 -0.717018D+01 -0.107214D+02  0.904032D+01  0.138415D+01
      5  -0.817875D+01  0.364883D+01  0.361463D+02 -0.706927D+00  0.207479D+02
      6   0.478964D+01 -0.171063D+01 -0.377359D+01  0.169837D+01  0.618741D+00
               166           167           168           169           170 
      1  -0.197542D+02 -0.635457D+01  0.414691D+00 -0.789399D+01  0.852673D+00
      2   0.107609D+02  0.131575D+01  0.630180D+00  0.890660D+00 -0.129778D+01
      3   0.899337D+01  0.503882D+01 -0.104487D+01  0.700333D+01  0.445110D+00
      4   0.702216D+01  0.147757D+01  0.122195D+02  0.576061D+01  0.554039D+01
      5  -0.783262D+01  0.121862D+02 -0.314321D+01  0.140474D+02  0.502571D+01
      6   0.181919D+01  0.725515D+00  0.119746D+02  0.362425D+01  0.117733D+02
               171           172           173           174           175 
      1  -0.370625D+02 -0.518644D+02  0.808905D+01  0.720366D+01  0.155257D+02
      2  -0.134091D+02  0.331739D+02 -0.389949D+01  0.591046D+01 -0.102977D+02
      3   0.504716D+02  0.186905D+02 -0.418957D+01 -0.131141D+02 -0.522800D+01
      4   0.753362D+01  0.764968D+01 -0.566684D+01 -0.131186D+01 -0.949589D+00
      5   0.466835D+02 -0.276587D+02  0.117351D+01 -0.176613D+02  0.745218D+01
      6   0.469216D+01  0.306664D+01 -0.436831D+01 -0.194088D+01 -0.688089D+00
               176           177           178           179           180 
      1  -0.719875D+01 -0.214682D+01 -0.108839D+02  0.147989D+00 -0.106303D+02
      2   0.420256D+01 -0.127368D+01  0.135880D+02 -0.520987D+00  0.522529D+01
      3   0.299619D+01  0.342051D+01 -0.270411D+01  0.372998D+00  0.540504D+01
      4   0.286362D+01  0.394333D+01  0.245935D+01 -0.166794D+00  0.131890D+01
      5   0.249003D+01  0.578354D+01 -0.125605D+02  0.843768D+00 -0.304102D+01
      6   0.277643D+01  0.412885D+01 -0.109279D+01  0.135864D+01  0.975972D+00
               181           182           183           184           185 
      1   0.279937D+02  0.503418D+02  0.707989D+00 -0.367324D+02  0.125638D+02
      2  -0.139471D+02 -0.409944D+02 -0.221960D+00  0.304174D+02 -0.189557D+02
      3  -0.140466D+02 -0.934743D+01 -0.486029D+00  0.631494D+01  0.639196D+01
      4   0.274328D+01  0.401868D+02 -0.319827D+01 -0.523479D+01  0.362731D+02
      5   0.585415D+01 -0.597277D+01  0.150129D+02  0.926575D-01  0.179001D+01
      6  -0.429226D+01  0.210561D+01 -0.116441D+02  0.128435D+01 -0.176795D+01
               186           187           188           189           190 
      1   0.159369D+01  0.153292D+01 -0.670078D+01  0.392000D+01  0.109284D+03
      2  -0.194381D+01  0.101991D+01  0.352073D+01 -0.756629D+01 -0.545867D+02
      3   0.350128D+00 -0.255283D+01  0.318005D+01  0.364629D+01 -0.546969D+02
      4   0.190713D+01 -0.541834D+01 -0.292709D+00 -0.250126D+02  0.895123D+01
      5  -0.816701D+01  0.358423D+02 -0.207105D+02 -0.354453D+01  0.334106D+01
      6   0.261688D+01 -0.239083D+02  0.148869D+02  0.373574D+01 -0.165959D+01
               191           192           193           194           195 
      1   0.107351D+01 -0.568644D+01 -0.485156D+02 -0.361419D+02  0.208736D+01
      2  -0.130975D+02  0.932426D+00  0.119279D+02  0.417426D+02  0.661132D+00
      3   0.120240D+02  0.475401D+01  0.365877D+02 -0.560074D+01 -0.274849D+01
      4   0.205664D+02 -0.383727D+00 -0.394381D+02 -0.625614D+02  0.137612D+01
      5   0.501359D+00  0.532812D+01 -0.425144D+00  0.744599D-01 -0.141145D+01
      6   0.119014D+01 -0.322287D+01  0.275114D+01  0.962287D+00 -0.768695D+01
               196           197           198           199           200 
      1  -0.195484D+01 -0.206627D+01  0.228830D+02 -0.112333D+03 -0.224811D+02
      2   0.122037D+01  0.242859D+01 -0.207592D+02  0.396979D+02  0.235078D+02
      3   0.734474D+00 -0.362318D+00 -0.212379D+01  0.726347D+02 -0.102667D+01
      4  -0.299352D+01 -0.264474D+01 -0.155900D+00 -0.339728D+02 -0.312692D+02
      5   0.494828D+02 -0.462907D+01 -0.401569D+01  0.272260D+01  0.315338D+01
      6  -0.108246D+01  0.445489D+01 -0.354130D+00  0.423689D+01  0.783559D+00
               201           202           203           204           205 
      1   0.670707D+01  0.818143D+02  0.154042D+02 -0.405262D+01  0.102309D+02
      2  -0.259497D+01 -0.489389D+02 -0.235343D+02  0.208190D+01 -0.475558D+01
      3  -0.411210D+01 -0.328754D+02  0.813015D+01  0.197072D+01 -0.547530D+01
      4   0.340626D+01  0.275093D+02  0.193171D+02 -0.170897D+01  0.527675D+01
      5   0.626258D+01 -0.164570D+01 -0.525770D+00  0.123556D+02  0.231256D+01
      6   0.716531D+00 -0.190649D+01 -0.731836D+00  0.803389D+01  0.216032D+01
               206           207           208           209           210 
      1   0.511974D+01 -0.169745D+02  0.461350D+02 -0.582775D+01 -0.408892D+00
      2  -0.403032D+01 -0.191900D+01 -0.280846D+02  0.654806D+01  0.231974D+01
      3  -0.108941D+01  0.188935D+02 -0.180504D+02 -0.720310D+00 -0.191084D+01
      4   0.308413D+01  0.174724D+02 -0.123400D+02  0.103260D+02  0.454701D+00
      5   0.216935D+02  0.359354D+01 -0.433560D+01  0.110949D-02  0.205911D+02
      6   0.103662D+02 -0.126320D+00  0.862863D+00 -0.145693D+01  0.387110D+01
               211           212           213           214           215 
      1  -0.860503D+01  0.103393D+02  0.303375D+01 -0.121618D+01 -0.274681D-01
      2   0.687450D+01 -0.491153D+01 -0.149013D+01  0.210503D+01 -0.675631D+00
      3   0.173052D+01 -0.542780D+01 -0.154362D+01 -0.888856D+00  0.703099D+00
      4   0.397831D+02 -0.113398D+02 -0.227502D+01  0.105214D+01 -0.516912D+00
      5   0.247446D+01 -0.619637D+00  0.158915D+02  0.152979D+02 -0.406539D+01
      6  -0.783444D+00 -0.390289D-01  0.136740D+02 -0.102897D+01  0.450521D+01
               216           217           218           219           220 
      1   0.692619D+01 -0.881780D+02 -0.220118D+01  0.124268D+02  0.706361D+01
      2  -0.377050D+01  0.498915D+02  0.448157D+01 -0.681038D+01 -0.781408D+00
      3  -0.315568D+01  0.382865D+02 -0.228039D+01 -0.561645D+01 -0.628220D+01
      4  -0.501851D+01  0.313170D+01  0.251264D+02 -0.289662D+01 -0.123065D+02
      5  -0.337798D+01  0.109924D+02 -0.325758D+01  0.186601D+02 -0.632995D+01
      6   0.401231D+00  0.414483D+00 -0.261035D+01  0.767702D+01 -0.164662D+01
               221           222           223           224           225 
      1   0.125414D+02 -0.101881D+02  0.897554D+01 -0.642769D+01  0.232488D+02
      2  -0.628959D+01  0.325795D+01 -0.521047D+01  0.216483D+01 -0.185387D+02
      3  -0.625180D+01  0.693014D+01 -0.376507D+01  0.426286D+01 -0.471009D+01
      4  -0.137252D+01  0.708490D+00 -0.491920D+01 -0.218792D+01 -0.410601D+02
      5   0.230284D+00 -0.662264D+02 -0.860947D+01 -0.440022D+02 -0.755005D+01
      6   0.146257D+01 -0.273502D+02 -0.103682D+02 -0.205634D+02  0.251753D+00
               226           227           228           229           230 
      1  -0.652584D+01 -0.158031D+02  0.492159D+00 -0.533247D+01 -0.569218D+02
      2   0.790636D+01  0.173521D+02 -0.292315D+00  0.516633D+01  0.746948D+02
      3  -0.138052D+01 -0.154901D+01 -0.199844D+00  0.166139D+00 -0.177729D+02
      4   0.779506D+00  0.465510D+01  0.233937D+00  0.389800D+01 -0.222039D+02
      5   0.367573D+00  0.682704D+00  0.940956D+00  0.621926D-01  0.209518D+01
      6  -0.285138D+00 -0.873626D+00  0.216464D+01  0.178604D+00 -0.102659D+01
               231           232           233           234           235 
      1  -0.544344D+00  0.721513D+00  0.154998D+00 -0.109089D+01  0.365888D+02
      2   0.647330D+00 -0.487363D+00  0.130524D+00  0.183963D+01 -0.726390D+01
      3  -0.102986D+00 -0.234150D+00 -0.285522D+00 -0.748740D+00 -0.293249D+02
      4   0.661351D-01 -0.391078D-01 -0.663728D+00  0.725119D+00 -0.528450D+02
      5  -0.244882D+01  0.235962D+01  0.236117D+00 -0.232061D+00 -0.346914D+01
      6   0.850905D+01 -0.719129D+00  0.335414D+01  0.455086D-01  0.272904D+01
               236           237           238           239           240 
      1  -0.185904D+02 -0.236539D+01 -0.181699D+02  0.833194D+01  0.748410D+00
      2  -0.209219D+01  0.634355D+00 -0.706368D+01  0.165882D+02  0.830337D+00
      3   0.206826D+02  0.173103D+01  0.252336D+02 -0.249201D+02 -0.157875D+01
      4   0.429083D+02  0.432627D+01  0.497473D+02 -0.550631D+02 -0.435591D+01
      5   0.223417D+01  0.753789D+01  0.226087D+01 -0.199309D+01 -0.702762D+01
      6  -0.210574D+01 -0.441662D+01 -0.228946D+01  0.282366D+01  0.595326D+01
               241           242           243           244           245 
      1  -0.353131D+01  0.146269D+01 -0.310278D+00  0.788490D+01  0.977822D+01
      2   0.578547D+00  0.503119D+00  0.110213D+01 -0.187082D+01 -0.311466D+01
      3   0.295276D+01 -0.196581D+01 -0.791849D+00 -0.601408D+01 -0.666356D+01
      4   0.545971D+01 -0.458413D+01 -0.362948D+01  0.153015D+02  0.130876D+02
      5  -0.491212D-01 -0.253002D+01 -0.100603D+01 -0.171252D+00 -0.421011D+00
      6   0.751201D+00  0.255193D+01  0.668708D+00 -0.106011D+00 -0.426358D+00
               246           247           248           249           250 
      1  -0.338194D+00  0.113504D+02 -0.755640D+01 -0.573125D+00 -0.310257D+00
      2   0.186186D+00  0.698953D+00  0.200961D+02  0.400766D-01  0.202318D+00
      3   0.152008D+00 -0.120494D+02 -0.125397D+02  0.533048D+00  0.107939D+00
      4  -0.879344D+00  0.247747D+02  0.409459D+02 -0.525157D+00 -0.610775D+00
      5   0.115150D+01  0.169879D+00  0.151213D+01  0.439703D+01  0.532409D+00
      6   0.336640D+00 -0.275671D-01  0.143268D+00  0.487319D+01  0.165793D+01
               251           252           253           254           255 
      1  -0.112179D+01 -0.132175D+01  0.347651D+01  0.313370D+01  0.789002D+01
      2   0.662618D+00  0.198372D+01 -0.182720D+01 -0.289301D+01 -0.361958D+01
      3   0.459174D+00 -0.661969D+00 -0.164931D+01 -0.240689D+00 -0.427044D+01
      4  -0.661896D-02 -0.146696D+00 -0.233744D+01 -0.397258D+01  0.145345D+01
      5  -0.102423D+01 -0.242237D-01  0.567954D+01  0.321237D-01 -0.741866D+01
      6   0.125494D+01  0.396321D-01  0.178624D+01 -0.707804D+00 -0.429977D+01
               256           257           258           259           260 
      1   0.767702D+01 -0.208311D+00  0.265057D+00  0.281808D+02  0.604506D+01
      2  -0.466576D+00  0.815782D+01  0.472790D+01 -0.131082D+02  0.167591D+01
      3  -0.721044D+01 -0.794950D+01 -0.499295D+01 -0.150726D+02 -0.772098D+01
      4   0.222058D+02  0.290130D+02  0.197373D+02  0.278653D+02  0.283132D+02
      5   0.132890D+02  0.206864D+02  0.270692D+02  0.267653D+02  0.295252D+02
      6   0.578253D+01  0.101760D+02  0.130367D+02  0.111732D+02  0.145665D+02
               261           262           263           264           265 
      1  -0.404723D+01  0.203357D+03  0.149066D+02 -0.126663D+02 -0.114667D+02
      2   0.907330D-01 -0.105220D+03 -0.475031D+01  0.748400D+01  0.924709D+01
      3   0.395649D+01 -0.981376D+02 -0.101563D+02  0.518232D+01  0.221957D+01
      4   0.275750D+02  0.384969D+02  0.192301D+02 -0.238284D+01  0.169056D+02
      5   0.511817D+02 -0.152434D+02 -0.110085D+01  0.190734D+02  0.731366D+00
      6   0.183500D+02 -0.229015D+01 -0.842964D+00  0.321283D+01 -0.729424D+00
               266           267           268           269           270 
      1   0.145239D+02  0.109288D+01 -0.135425D+02 -0.489522D+00  0.136082D+02
      2  -0.691395D+01 -0.855667D+00  0.812161D+01  0.139451D+00 -0.781190D+01
      3  -0.760995D+01 -0.237213D+00  0.542091D+01  0.350071D+00 -0.579634D+01
      4  -0.221292D+00 -0.140861D+01 -0.262625D+01 -0.163880D+01  0.601476D+01
      5  -0.158909D+01  0.794739D+00  0.218898D+02  0.522596D+01 -0.406818D+01
      6  -0.143285D+00  0.186104D+01  0.299840D+01  0.300835D+01 -0.709936D+00
               271           272           273           274           275 
      1  -0.403177D+01  0.368351D+01 -0.117227D+02  0.589814D+01 -0.622570D+01
      2   0.143505D+01 -0.396187D+01  0.489311D+01 -0.863957D+00  0.108096D+02
      3   0.259672D+01  0.278368D+00  0.682959D+01 -0.503418D+01 -0.458386D+01
      4  -0.643727D+01 -0.841385D+01  0.316771D+01  0.191551D+02  0.299403D+02
      5  -0.395300D+01  0.428549D+01 -0.126323D+02 -0.100001D+02 -0.211388D+02
      6  -0.783384D+00  0.389856D+01 -0.712712D+01 -0.556091D+01 -0.133056D+02
               276           277           278           279 
      1   0.668537D+01 -0.223000D+02  0.194751D+01 -0.117820D+02
      2  -0.693374D+01  0.110500D+02 -0.384469D+01  0.154721D+01
      3   0.248370D+00  0.112500D+02  0.189718D+01  0.102348D+02
      4  -0.215139D+02 -0.205209D+02 -0.257191D+02  0.278036D+02
      5   0.282371D+02  0.214832D+02  0.288308D+02 -0.450232D+02
      6   0.154942D+02  0.101167D+02  0.164840D+02 -0.200360D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Tue Aug 17 00:23:50 2021, MaxMem=  5637144576 cpu:           78097.2 elap:            9786.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -18.94039 -18.93401 -18.87693 -10.13472 -10.08630
 Alpha  occ. eigenvalues --  -10.07002 -10.04250 -10.03947 -10.03938 -10.03441
 Alpha  occ. eigenvalues --  -10.03050 -10.03045 -10.02775 -10.02730 -10.02615
 Alpha  occ. eigenvalues --  -10.02216 -10.00548  -1.15007  -1.13485  -1.07059
 Alpha  occ. eigenvalues --   -0.95620  -0.91401  -0.87124  -0.85151  -0.82402
 Alpha  occ. eigenvalues --   -0.80296  -0.77750  -0.73071  -0.70985  -0.68942
 Alpha  occ. eigenvalues --   -0.68660  -0.66910  -0.62183  -0.61105  -0.60558
 Alpha  occ. eigenvalues --   -0.57315  -0.55757  -0.55570  -0.54957  -0.53285
 Alpha  occ. eigenvalues --   -0.52660  -0.51684  -0.50607  -0.49900  -0.49611
 Alpha  occ. eigenvalues --   -0.49203  -0.48571  -0.47006  -0.46128  -0.44951
 Alpha  occ. eigenvalues --   -0.43484  -0.43284  -0.42801  -0.41602  -0.40550
 Alpha  occ. eigenvalues --   -0.39869  -0.39293  -0.38157  -0.34381  -0.32249
 Alpha  occ. eigenvalues --   -0.29691
 Alpha virt. eigenvalues --   -0.00300   0.02172   0.02338   0.02619   0.03264
 Alpha virt. eigenvalues --    0.03917   0.04152   0.04619   0.05314   0.05486
 Alpha virt. eigenvalues --    0.05750   0.05913   0.06520   0.06948   0.07551
 Alpha virt. eigenvalues --    0.08080   0.08277   0.09453   0.09695   0.09814
 Alpha virt. eigenvalues --    0.10374   0.10659   0.11497   0.11606   0.11999
 Alpha virt. eigenvalues --    0.12433   0.12875   0.13072   0.13261   0.13360
 Alpha virt. eigenvalues --    0.13544   0.13825   0.14049   0.14216   0.14684
 Alpha virt. eigenvalues --    0.15137   0.15428   0.15727   0.16088   0.16289
 Alpha virt. eigenvalues --    0.16447   0.16806   0.17343   0.17543   0.17686
 Alpha virt. eigenvalues --    0.18050   0.18495   0.18904   0.19063   0.19566
 Alpha virt. eigenvalues --    0.20034   0.20325   0.20806   0.21742   0.21953
 Alpha virt. eigenvalues --    0.22393   0.22965   0.23451   0.23615   0.24029
 Alpha virt. eigenvalues --    0.24133   0.24882   0.25382   0.25415   0.26047
 Alpha virt. eigenvalues --    0.26112   0.26573   0.26821   0.26971   0.27445
 Alpha virt. eigenvalues --    0.28013   0.28150   0.28333   0.28623   0.28969
 Alpha virt. eigenvalues --    0.29409   0.29480   0.29916   0.30110   0.30265
 Alpha virt. eigenvalues --    0.30914   0.31012   0.31543   0.31952   0.32131
 Alpha virt. eigenvalues --    0.32450   0.32847   0.33321   0.33643   0.33733
 Alpha virt. eigenvalues --    0.34216   0.34601   0.34815   0.35198   0.35469
 Alpha virt. eigenvalues --    0.35934   0.36253   0.36616   0.36832   0.37577
 Alpha virt. eigenvalues --    0.37635   0.38066   0.38451   0.38669   0.39036
 Alpha virt. eigenvalues --    0.40115   0.40361   0.40796   0.41260   0.41558
 Alpha virt. eigenvalues --    0.41893   0.42301   0.42816   0.43391   0.43430
 Alpha virt. eigenvalues --    0.43809   0.44336   0.44848   0.45129   0.45637
 Alpha virt. eigenvalues --    0.46394   0.46658   0.47102   0.47382   0.47687
 Alpha virt. eigenvalues --    0.48057   0.48286   0.49317   0.49726   0.50611
 Alpha virt. eigenvalues --    0.50785   0.51467   0.52328   0.52893   0.53194
 Alpha virt. eigenvalues --    0.53455   0.53926   0.54681   0.55312   0.55852
 Alpha virt. eigenvalues --    0.56351   0.56872   0.57234   0.57587   0.57939
 Alpha virt. eigenvalues --    0.58354   0.58491   0.59007   0.59654   0.59910
 Alpha virt. eigenvalues --    0.60137   0.60635   0.61412   0.61737   0.62106
 Alpha virt. eigenvalues --    0.62589   0.62995   0.63392   0.63730   0.63956
 Alpha virt. eigenvalues --    0.64700   0.65133   0.65485   0.65797   0.66116
 Alpha virt. eigenvalues --    0.66813   0.66925   0.67287   0.67837   0.68055
 Alpha virt. eigenvalues --    0.68679   0.68907   0.69544   0.69884   0.70161
 Alpha virt. eigenvalues --    0.70667   0.70895   0.71601   0.72201   0.72664
 Alpha virt. eigenvalues --    0.73097   0.73395   0.73717   0.74269   0.74723
 Alpha virt. eigenvalues --    0.75188   0.75415   0.76004   0.76687   0.76957
 Alpha virt. eigenvalues --    0.77363   0.78022   0.78651   0.79104   0.79585
 Alpha virt. eigenvalues --    0.79712   0.80279   0.80741   0.81160   0.81678
 Alpha virt. eigenvalues --    0.82436   0.82568   0.83137   0.83496   0.83709
 Alpha virt. eigenvalues --    0.84646   0.84912   0.85647   0.86019   0.86408
 Alpha virt. eigenvalues --    0.87159   0.87944   0.88837   0.89255   0.89562
 Alpha virt. eigenvalues --    0.89850   0.90390   0.90943   0.91564   0.93415
 Alpha virt. eigenvalues --    0.93854   0.94597   0.95670   0.96210   0.96692
 Alpha virt. eigenvalues --    0.97710   0.98488   0.99619   1.00308   1.01110
 Alpha virt. eigenvalues --    1.01868   1.03120   1.03906   1.05419   1.06403
 Alpha virt. eigenvalues --    1.07665   1.08328   1.08424   1.09069   1.10353
 Alpha virt. eigenvalues --    1.11227   1.11729   1.12029   1.13163   1.14171
 Alpha virt. eigenvalues --    1.15717   1.16154   1.17507   1.17892   1.18565
 Alpha virt. eigenvalues --    1.19670   1.20529   1.21632   1.22517   1.22801
 Alpha virt. eigenvalues --    1.24012   1.24737   1.26114   1.27912   1.28827
 Alpha virt. eigenvalues --    1.28944   1.30384   1.30947   1.32325   1.33549
 Alpha virt. eigenvalues --    1.33563   1.35497   1.36214   1.37161   1.37603
 Alpha virt. eigenvalues --    1.38630   1.39248   1.39801   1.40763   1.41458
 Alpha virt. eigenvalues --    1.42996   1.43296   1.45219   1.45488   1.45987
 Alpha virt. eigenvalues --    1.46379   1.47157   1.47521   1.48207   1.49513
 Alpha virt. eigenvalues --    1.50767   1.51413   1.52828   1.53114   1.54044
 Alpha virt. eigenvalues --    1.54872   1.56044   1.56157   1.56492   1.57746
 Alpha virt. eigenvalues --    1.57914   1.58504   1.59560   1.60178   1.61496
 Alpha virt. eigenvalues --    1.62310   1.62600   1.64063   1.64364   1.65205
 Alpha virt. eigenvalues --    1.65629   1.66106   1.66565   1.67701   1.67888
 Alpha virt. eigenvalues --    1.68329   1.69369   1.70704   1.71130   1.72302
 Alpha virt. eigenvalues --    1.72924   1.72978   1.74381   1.75024   1.76063
 Alpha virt. eigenvalues --    1.76861   1.77353   1.78232   1.79031   1.79614
 Alpha virt. eigenvalues --    1.80348   1.80767   1.82640   1.83807   1.84217
 Alpha virt. eigenvalues --    1.85225   1.85721   1.86956   1.88711   1.89059
 Alpha virt. eigenvalues --    1.89967   1.91530   1.92512   1.93405   1.93745
 Alpha virt. eigenvalues --    1.94448   1.95527   1.96090   1.96996   1.97350
 Alpha virt. eigenvalues --    1.98966   1.99332   1.99855   2.01462   2.01793
 Alpha virt. eigenvalues --    2.02053   2.02398   2.03911   2.04417   2.04709
 Alpha virt. eigenvalues --    2.06000   2.06837   2.07268   2.07774   2.09232
 Alpha virt. eigenvalues --    2.09766   2.10196   2.11339   2.12188   2.13368
 Alpha virt. eigenvalues --    2.14488   2.15151   2.15995   2.17245   2.17916
 Alpha virt. eigenvalues --    2.19976   2.20680   2.21074   2.21756   2.23763
 Alpha virt. eigenvalues --    2.24543   2.25005   2.26250   2.28424   2.28602
 Alpha virt. eigenvalues --    2.29600   2.30812   2.32967   2.34366   2.36096
 Alpha virt. eigenvalues --    2.37231   2.38074   2.39025   2.40133   2.40372
 Alpha virt. eigenvalues --    2.41339   2.42444   2.44711   2.45174   2.47920
 Alpha virt. eigenvalues --    2.49111   2.52822   2.54832   2.55679   2.57585
 Alpha virt. eigenvalues --    2.59160   2.60185   2.62269   2.64162   2.65185
 Alpha virt. eigenvalues --    2.65770   2.68040   2.68674   2.73238   2.73548
 Alpha virt. eigenvalues --    2.75505   2.76766   2.79664   2.80261   2.83590
 Alpha virt. eigenvalues --    2.84550   2.87266   2.90235   2.90825   2.95776
 Alpha virt. eigenvalues --    2.96292   2.97583   2.99573   3.09741   3.10060
 Alpha virt. eigenvalues --    3.14736   3.20702   3.28150   3.33399   3.37692
 Alpha virt. eigenvalues --    3.39140   3.40800   3.42947   3.43966   3.44505
 Alpha virt. eigenvalues --    3.47343   3.49686   3.51497   3.52658   3.54129
 Alpha virt. eigenvalues --    3.55566   3.57388   3.61777   3.70521   3.78131
 Alpha virt. eigenvalues --    3.79370   3.81885   3.85330   3.95116   4.04994
 Alpha virt. eigenvalues --    4.41786   4.69764
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   31.237291  -5.203386 -15.930566   4.538659  -4.194632   4.400372
     2  C   -5.203386  23.780119   5.743397  -2.997328   4.994561 -10.554594
     3  C  -15.930566   5.743397  39.123410 -12.449595   0.152163  -2.585080
     4  C    4.538659  -2.997328 -12.449595  26.399498  -7.873365   2.884087
     5  C   -4.194632   4.994561   0.152163  -7.873365  32.354917 -18.323141
     6  C    4.400372 -10.554594  -2.585080   2.884087 -18.323141  35.814630
     7  C  -14.062615   1.125436  -3.168910   0.002523  -1.553928   1.082369
     8  H    1.529883  -0.897247  -5.027827   1.408195   0.325099  -0.052771
     9  H   -0.011107  -0.706583   0.392443   0.243360  -3.930677   2.215467
    10  H   -0.676787   0.872207   0.045215  -0.718761   3.260125  -4.859051
    11  C    0.474791  -1.525436  -0.600853  -5.529009  -2.211618   2.310354
    12  C    0.179260  -0.146392  -0.276556  -0.097117  -0.424082   0.128736
    13  C   -0.077153  -0.065570  -0.299440   0.091186  -0.457254  -0.008705
    14  H   -0.061631  -0.004951  -0.329368   1.134296  -0.113817  -0.055080
    15  H    0.023516   0.034308  -0.245610   1.027713  -0.026151  -0.078822
    16  H   -0.031618  -0.011192   0.234951  -0.750477   0.084974   0.046717
    17  H    0.047510  -0.081094  -0.007359  -0.303594  -0.213609   0.152549
    18  O    0.009058   0.008864  -0.013343   0.158851   0.056957  -0.007789
    19  O    0.048403  -0.009963  -0.063485  -0.061870   0.014947   0.011286
    20  H    0.011882  -0.047999  -0.005831   0.123253  -0.086175   0.055970
    21  C    6.466651  -5.342836  -1.859285   0.641534   0.401714  -0.825952
    22  C   -6.402803   1.149445   0.817866  -0.643307   0.931287  -0.575549
    23  C    2.817020  -4.924817   0.234143  -0.959029   2.626039  -6.500535
    24  O    0.204424   0.056554  -0.051814   0.047123  -0.046648  -0.045076
    25  C   -0.215880  -0.004487  -0.008380  -0.001222   0.028568   0.011220
    26  H    2.089391  -0.324008  -0.135702   0.114973   0.035603  -0.125579
    27  H   -0.664674   0.251819  -0.090448   0.008449   0.006960   0.062315
    28  H   -0.496994   0.190141   0.013486  -0.066003   0.214241   0.113115
    29  H   -0.027893   0.084531  -0.000062   0.002282  -0.011096  -0.005535
    30  H    0.017692  -0.108122   0.001435  -0.001750   0.007137   0.009018
    31  H   -0.027792   0.054315   0.002880  -0.000716  -0.006366  -0.003941
               7          8          9         10         11         12
     1  C  -14.062615   1.529883  -0.011107  -0.676787   0.474791   0.179260
     2  C    1.125436  -0.897247  -0.706583   0.872207  -1.525436  -0.146392
     3  C   -3.168910  -5.027827   0.392443   0.045215  -0.600853  -0.276556
     4  C    0.002523   1.408195   0.243360  -0.718761  -5.529009  -0.097117
     5  C   -1.553928   0.325099  -3.930677   3.260125  -2.211618  -0.424082
     6  C    1.082369  -0.052771   2.215467  -4.859051   2.310354   0.128736
     7  C   38.382746   0.726222   0.091449  -0.151910  -0.199470   0.087892
     8  H    0.726222   4.025936  -0.047518   0.009689   0.275574   0.050111
     9  H    0.091449  -0.047518   4.208430  -0.444212   0.255084   0.047900
    10  H   -0.151910   0.009689  -0.444212   3.763240  -0.058081   0.013907
    11  C   -0.199470   0.275574   0.255084  -0.058081  14.875821   0.403342
    12  C    0.087892   0.050111   0.047900   0.013907   0.403342   4.742132
    13  C    0.043800   0.011910   0.077413   0.004988  -1.213599  -0.181858
    14  H   -0.014134  -0.206056  -0.010174   0.001506  -1.414737   0.066328
    15  H    0.002423   0.004482   0.018624  -0.001644  -0.456998  -0.016174
    16  H   -0.021154   0.010036   0.015452  -0.001617   0.538991   0.093992
    17  H    0.019310  -0.001684  -0.080504   0.010525   0.038141   0.460818
    18  O   -0.000464   0.003992  -0.004875   0.000202  -0.307137   0.051678
    19  O    0.006075  -0.000402   0.007383  -0.000990   0.301272  -0.015428
    20  H    0.026184  -0.020337   0.007794  -0.002792  -0.143255  -0.002271
    21  C  -17.289540   0.232037   0.024577   0.016447   0.164812  -0.002463
    22  C    7.424951   0.021320  -0.029008   0.209026  -0.065635   0.004705
    23  C   -5.568346  -0.063537  -0.255682   0.953041  -0.163362  -0.053327
    24  O   -0.316420  -0.000739  -0.000526   0.001915   0.000217   0.000010
    25  C    0.400736   0.000112  -0.001724   0.015416  -0.002421   0.000268
    26  H   -4.640649  -0.230323   0.003965  -0.003650  -0.012258   0.001247
    27  H    2.039464  -0.004594  -0.001552   0.006554   0.002548  -0.000274
    28  H   -0.116275   0.010386   0.019349  -0.256826   0.002388  -0.000919
    29  H    0.035629  -0.000477  -0.000661   0.003934  -0.000013   0.000061
    30  H    0.001137   0.000279   0.000081  -0.001348  -0.000241   0.000018
    31  H    0.034201  -0.000432  -0.000465   0.003106  -0.000098  -0.000013
              13         14         15         16         17         18
     1  C   -0.077153  -0.061631   0.023516  -0.031618   0.047510   0.009058
     2  C   -0.065570  -0.004951   0.034308  -0.011192  -0.081094   0.008864
     3  C   -0.299440  -0.329368  -0.245610   0.234951  -0.007359  -0.013343
     4  C    0.091186   1.134296   1.027713  -0.750477  -0.303594   0.158851
     5  C   -0.457254  -0.113817  -0.026151   0.084974  -0.213609   0.056957
     6  C   -0.008705  -0.055080  -0.078822   0.046717   0.152549  -0.007789
     7  C    0.043800  -0.014134   0.002423  -0.021154   0.019310  -0.000464
     8  H    0.011910  -0.206056   0.004482   0.010036  -0.001684   0.003992
     9  H    0.077413  -0.010174   0.018624   0.015452  -0.080504  -0.004875
    10  H    0.004988   0.001506  -0.001644  -0.001617   0.010525   0.000202
    11  C   -1.213599  -1.414737  -0.456998   0.538991   0.038141  -0.307137
    12  C   -0.181858   0.066328  -0.016174   0.093992   0.460818   0.051678
    13  C    7.631261   0.081985  -0.035466  -0.069085  -0.028490   0.094987
    14  H    0.081985   2.366577  -0.022511  -0.100481   0.115184   0.038176
    15  H   -0.035466  -0.022511   1.837943  -0.400461  -0.409824   0.005520
    16  H   -0.069085  -0.100481  -0.400461   1.821808  -0.281649   0.017566
    17  H   -0.028490   0.115184  -0.409824  -0.281649   1.697298   0.032981
    18  O    0.094987   0.038176   0.005520   0.017566   0.032981   8.429209
    19  O   -0.401052   0.000409  -0.003870   0.005883   0.011098  -0.086726
    20  H    0.021628   0.023179  -0.000064  -0.001749  -0.000884   0.010744
    21  C    0.007037   0.016003   0.000310  -0.003574  -0.002531  -0.000080
    22  C   -0.002823  -0.003160   0.000036   0.000905   0.000971   0.000030
    23  C   -0.049374  -0.003733  -0.001626   0.005744  -0.016370   0.000905
    24  O   -0.000017  -0.000063  -0.000003   0.000004  -0.000002   0.000000
    25  C   -0.000065  -0.000135  -0.000006   0.000015   0.000156   0.000003
    26  H    0.003274   0.014797   0.000464  -0.002308   0.000027   0.000033
    27  H   -0.000345   0.000136   0.000009   0.000086  -0.000055   0.000010
    28  H   -0.000802  -0.000189   0.000232  -0.000276  -0.001302   0.000050
    29  H   -0.000004   0.000014  -0.000000   0.000003   0.000037   0.000000
    30  H    0.000007  -0.000017   0.000000  -0.000002   0.000007   0.000000
    31  H    0.000003   0.000017  -0.000004   0.000010   0.000015   0.000000
              19         20         21         22         23         24
     1  C    0.048403   0.011882   6.466651  -6.402803   2.817020   0.204424
     2  C   -0.009963  -0.047999  -5.342836   1.149445  -4.924817   0.056554
     3  C   -0.063485  -0.005831  -1.859285   0.817866   0.234143  -0.051814
     4  C   -0.061870   0.123253   0.641534  -0.643307  -0.959029   0.047123
     5  C    0.014947  -0.086175   0.401714   0.931287   2.626039  -0.046648
     6  C    0.011286   0.055970  -0.825952  -0.575549  -6.500535  -0.045076
     7  C    0.006075   0.026184 -17.289540   7.424951  -5.568346  -0.316420
     8  H   -0.000402  -0.020337   0.232037   0.021320  -0.063537  -0.000739
     9  H    0.007383   0.007794   0.024577  -0.029008  -0.255682  -0.000526
    10  H   -0.000990  -0.002792   0.016447   0.209026   0.953041   0.001915
    11  C    0.301272  -0.143255   0.164812  -0.065635  -0.163362   0.000217
    12  C   -0.015428  -0.002271  -0.002463   0.004705  -0.053327   0.000010
    13  C   -0.401052   0.021628   0.007037  -0.002823  -0.049374  -0.000017
    14  H    0.000409   0.023179   0.016003  -0.003160  -0.003733  -0.000063
    15  H   -0.003870  -0.000064   0.000310   0.000036  -0.001626  -0.000003
    16  H    0.005883  -0.001749  -0.003574   0.000905   0.005744   0.000004
    17  H    0.011098  -0.000884  -0.002531   0.000971  -0.016370  -0.000002
    18  O   -0.086726   0.010744  -0.000080   0.000030   0.000905   0.000000
    19  O    8.458726   0.192893   0.000303   0.000327  -0.003489  -0.000012
    20  H    0.192893   0.679121  -0.009030   0.005694  -0.011078   0.000042
    21  C    0.000303  -0.009030  28.964549  -7.542090   2.983437   0.049156
    22  C    0.000327   0.005694  -7.542090  18.008894  -7.287378  -0.967469
    23  C   -0.003489  -0.011078   2.983437  -7.287378  22.576536   0.731509
    24  O   -0.000012   0.000042   0.049156  -0.967469   0.731509   9.217181
    25  C    0.000033   0.000071  -0.479249   0.028485   0.044264   0.165606
    26  H    0.000573  -0.000623   2.615195  -1.000372   0.345367  -0.004322
    27  H   -0.000036  -0.000062  -3.297600   1.226386  -0.274905  -0.144626
    28  H    0.000767  -0.000768   0.448607   1.184379  -3.066795  -0.197598
    29  H   -0.000017   0.000063  -0.026676  -0.053369  -0.021531   0.100711
    30  H    0.000007  -0.000021  -0.021157   0.232720   0.015811  -0.402726
    31  H   -0.000016   0.000046  -0.009978  -0.047869  -0.013171   0.097169
              25         26         27         28         29         30
     1  C   -0.215880   2.089391  -0.664674  -0.496994  -0.027893   0.017692
     2  C   -0.004487  -0.324008   0.251819   0.190141   0.084531  -0.108122
     3  C   -0.008380  -0.135702  -0.090448   0.013486  -0.000062   0.001435
     4  C   -0.001222   0.114973   0.008449  -0.066003   0.002282  -0.001750
     5  C    0.028568   0.035603   0.006960   0.214241  -0.011096   0.007137
     6  C    0.011220  -0.125579   0.062315   0.113115  -0.005535   0.009018
     7  C    0.400736  -4.640649   2.039464  -0.116275   0.035629   0.001137
     8  H    0.000112  -0.230323  -0.004594   0.010386  -0.000477   0.000279
     9  H   -0.001724   0.003965  -0.001552   0.019349  -0.000661   0.000081
    10  H    0.015416  -0.003650   0.006554  -0.256826   0.003934  -0.001348
    11  C   -0.002421  -0.012258   0.002548   0.002388  -0.000013  -0.000241
    12  C    0.000268   0.001247  -0.000274  -0.000919   0.000061   0.000018
    13  C   -0.000065   0.003274  -0.000345  -0.000802  -0.000004   0.000007
    14  H   -0.000135   0.014797   0.000136  -0.000189   0.000014  -0.000017
    15  H   -0.000006   0.000464   0.000009   0.000232  -0.000000   0.000000
    16  H    0.000015  -0.002308   0.000086  -0.000276   0.000003  -0.000002
    17  H    0.000156   0.000027  -0.000055  -0.001302   0.000037   0.000007
    18  O    0.000003   0.000033   0.000010   0.000050   0.000000   0.000000
    19  O    0.000033   0.000573  -0.000036   0.000767  -0.000017   0.000007
    20  H    0.000071  -0.000623  -0.000062  -0.000768   0.000063  -0.000021
    21  C   -0.479249   2.615195  -3.297600   0.448607  -0.026676  -0.021157
    22  C    0.028485  -1.000372   1.226386   1.184379  -0.053369   0.232720
    23  C    0.044264   0.345367  -0.274905  -3.066795  -0.021531   0.015811
    24  O    0.165606  -0.004322  -0.144626  -0.197598   0.100711  -0.402726
    25  C    4.268288  -0.009548   0.054604  -0.052733   0.294508   0.250578
    26  H   -0.009548   3.498071  -0.243704   0.012624  -0.001378   0.000250
    27  H    0.054604  -0.243704   2.971727  -0.049892   0.011080  -0.010382
    28  H   -0.052733   0.012624  -0.049892   4.418224  -0.082887   0.047293
    29  H    0.294508  -0.001378   0.011080  -0.082887   1.419244  -0.513830
    30  H    0.250578   0.000250  -0.010382   0.047293  -0.513830   2.472847
    31  H    0.289977  -0.001404   0.011287  -0.073582  -0.118756  -0.511472
              31
     1  C   -0.027792
     2  C    0.054315
     3  C    0.002880
     4  C   -0.000716
     5  C   -0.006366
     6  C   -0.003941
     7  C    0.034201
     8  H   -0.000432
     9  H   -0.000465
    10  H    0.003106
    11  C   -0.000098
    12  C   -0.000013
    13  C    0.000003
    14  H    0.000017
    15  H   -0.000004
    16  H    0.000010
    17  H    0.000015
    18  O    0.000000
    19  O   -0.000016
    20  H    0.000046
    21  C   -0.009978
    22  C   -0.047869
    23  C   -0.013171
    24  O    0.097169
    25  C    0.289977
    26  H   -0.001404
    27  H    0.011287
    28  H   -0.073582
    29  H   -0.118756
    30  H   -0.511472
    31  H    1.414544
 Mulliken charges:
               1
     1  C   -0.010270
     2  C    0.610308
     3  C    2.388125
     4  C   -0.372836
     5  C   -0.022733
     6  C    1.308995
     7  C    1.571267
     8  H   -1.091319
     9  H   -1.103505
    10  H   -1.013376
    11  C    0.260884
    12  C    0.884469
    13  C    0.821623
    14  H   -0.518371
    15  H   -0.256345
    16  H   -0.201494
    17  H   -0.157675
    18  O   -0.499404
    19  O   -0.413032
    20  H    0.174377
    21  C   -0.320330
    22  C   -0.626596
    23  C    1.904269
    24  O   -0.493562
    25  C    0.922943
    26  H   -1.000026
    27  H   -0.870285
    28  H   -1.211440
    29  H   -0.087913
    30  H   -0.485250
    31  H   -0.091497
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.010270
     2  C    0.610308
     3  C    1.296807
     4  C   -0.372836
     5  C   -1.126238
     6  C    0.295619
     7  C    0.571241
    11  C   -0.257488
    12  C    0.268956
    13  C    0.821623
    18  O   -0.499404
    19  O   -0.238655
    21  C   -1.190615
    22  C   -0.626596
    23  C    0.692828
    24  O   -0.493562
    25  C    0.258283
 Electronic spatial extent (au):  <R**2>=           5500.7982
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -5.1985    Y=              0.3443    Z=             -1.5769  Tot=              5.4433
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -115.1126   YY=            -89.8140   ZZ=           -106.0677
   XY=             13.1912   XZ=            -10.3040   YZ=              1.2981
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -11.4478   YY=             13.8508   ZZ=             -2.4029
   XY=             13.1912   XZ=            -10.3040   YZ=              1.2981
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=           -206.9977  YYY=              1.9544  ZZZ=              5.0080  XYY=            -11.2582
  XXY=             -7.9632  XXZ=            -39.6985  XZZ=             -3.8947  YZZ=             -0.0221
  YYZ=              2.1124  XYZ=              5.8193
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -6448.8221 YYYY=           -696.6550 ZZZZ=           -497.2215 XXXY=            359.2993
 XXXZ=           -207.9656 YYYX=             -8.7430 YYYZ=              2.8538 ZZZX=             -6.0770
 ZZZY=             -0.2318 XXYY=          -1051.8455 XXZZ=          -1153.3462 YYZZ=           -218.6515
 XXYZ=             14.0658 YYXZ=              1.1327 ZZXY=             13.8427
 N-N= 1.134219035632D+03 E-N=-4.054603568342D+03  KE= 7.620874691028D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Tue Aug 17 00:23:50 2021, MaxMem=  5637144576 cpu:               3.3 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.05154310D+00 1.44098662D-01-6.12924232D-01
 Polarizability= 2.76001193D+02-6.98195046D+00 1.60134810D+02
                -1.23090949D+01 1.86295908D+00 1.11988278D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        6.6387    6.6390       -4.3323   -4.3323
 2     -6.6387   -6.6390       -1.0528   -1.0532      -67.6985  -67.6989
 3      4.3323    4.3323       93.6491   93.6488        1.0528    1.0532
 4      1.0528    1.0532        0.0000    0.0000        4.3314    4.3323
 5    -25.9505  -25.9499       -4.3314   -4.3323        6.6389    6.6390
 6     -1.0528   -1.0532       -6.6389   -6.6390       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000      -19.9171  -19.9171      -12.9968  -12.9968
 2      3.1597    3.1597        0.0000    0.0000      -12.9968  -12.9968
 3      3.1597    3.1597      -19.9171  -19.9171       -0.0000    0.0000
 4    -19.9171  -19.9171       -3.1597   -3.1597     -203.0968 -203.0968
 5     12.9968   12.9968      280.9463  280.9463        3.1597    3.1597
 6    -77.8496  -77.8496      -12.9968  -12.9968       19.9171   19.9171
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0236    0.0000      -26.3259  -26.5561       17.5218   17.3291
 2     26.5446   26.5561        4.2450    4.2129      270.6622  270.7957
 3    -17.4067  -17.3291     -374.6307 -374.5951       -4.2631   -4.2129
 4     -4.1776   -4.2129       -0.0202    0.0000      -17.2703  -17.3291
 5    103.7892  103.7994       17.3094   17.3291      -26.5415  -26.5561
 6      4.2414    4.2129       26.5730   26.5561        0.0212    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0095    0.0000       88.5235   88.3678      -22.5992  -22.5693
 2    -88.3776  -88.3678      105.3387  105.1588       -8.3739   -8.4716
 3     22.5851   22.5693        1.3039    1.3308     -105.2536 -105.1588
 4   -105.1259 -105.1588       -0.0698    0.0000       22.6213   22.5693
 5      7.0895    7.1408      -22.3398  -22.5693       88.3752   88.3678
 6    105.1194  105.1588      -88.3792  -88.3678       -0.0469    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1   -108.4618 -108.4886       76.3134   76.4810       14.7858   14.7816
 2   -259.1370 -259.1807      115.1877  115.3139       14.8482   14.7816
 3   -259.1279 -259.1807       76.3514   76.4810       39.2981   39.2365
 4    -38.7600  -38.8329      150.9079  150.6921       -9.7749   -9.8029
 5     24.5016   24.4549        2.8568    2.7913     -150.7099 -150.6921
 6      6.9852    7.0116      -24.3347  -24.4549       38.6693   38.8329
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.4325   -2.8268   -0.0005    0.0007    0.0007    2.9090
 Low frequencies ---   28.5925   40.9996   45.5087
 Diagonal vibrational polarizability:
       64.2976957      99.7890273      83.6611673
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     28.5920                40.9969                45.5086
 Red. masses --      5.3904                 8.0286                 4.5467
 Frc consts  --      0.0026                 0.0080                 0.0055
 IR Inten    --      2.3576                 6.7175                 0.4206
 RamAct Fr= 1--      4.3603                 1.2597                 2.8150
  Dep-P Fr= 1--      0.7496                 0.7003                 0.7484
  Dep-U Fr= 1--      0.8569                 0.8237                 0.8561
 Alpha2 Fr= 1--      0.0000                 0.0011                 0.0001
 Beta2  Fr= 1--      0.6227                 0.1729                 0.4016
 AlphaG Fr= 1--      0.0009                 0.0144                -0.0029
 Gamma2 Fr= 1--      0.5603                -0.7696                 0.9050
 Delta2 Fr= 1--      0.2106                -0.4092                 0.0692
 Raman1 Fr= 1--      17.441                  5.039                 11.260
 ROA1   Fr= 1--      60.525                -86.974                 89.099
 CID1   Fr= 1--       3.470                -17.260                  7.913
 Raman2 Fr= 1--       7.473                  2.075                  4.820
 ROA2   Fr= 1--      11.761                -15.196                 21.167
 CID2   Fr= 1--       1.574                 -7.322                  4.392
 Raman3 Fr= 1--      14.945                  4.151                  9.640
 ROA3   Fr= 1--      60.525                -86.974                 89.099
 CID3   Fr= 1--       4.050                -20.954                  9.243
 RC180  Fr= 1--       0.714                  0.647                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.00    -0.01  -0.02   0.03    -0.00   0.02  -0.12
     2   6    -0.00   0.02   0.09    -0.03  -0.01   0.04     0.01   0.02  -0.08
     3   6    -0.03   0.04   0.03    -0.00  -0.04   0.03    -0.00   0.03  -0.10
     4   6    -0.01   0.05   0.12    -0.01  -0.05   0.04     0.01   0.04  -0.05
     5   6     0.02   0.04   0.21    -0.04  -0.05   0.06     0.02   0.03  -0.05
     6   6     0.02   0.03   0.21    -0.04  -0.03   0.06     0.02   0.02  -0.06
     7   6    -0.05   0.02  -0.12     0.01  -0.00   0.01    -0.01   0.02  -0.16
     8   1    -0.04   0.05  -0.04     0.01  -0.05   0.02    -0.01   0.03  -0.10
     9   1     0.03   0.05   0.29    -0.05  -0.06   0.06     0.03   0.04  -0.02
    10   1     0.04   0.02   0.28    -0.05  -0.03   0.08     0.03   0.02  -0.04
    11   6    -0.01   0.06   0.06    -0.02  -0.06  -0.01     0.01   0.04   0.05
    12   6    -0.12   0.18  -0.03    -0.05  -0.11  -0.01     0.08   0.14   0.04
    13   6     0.06  -0.08  -0.05     0.08   0.06  -0.02    -0.05  -0.06   0.05
    14   1    -0.01   0.05   0.16    -0.03  -0.05  -0.08     0.02   0.04   0.14
    15   1    -0.11   0.16  -0.08    -0.06  -0.11  -0.05     0.09   0.11   0.13
    16   1    -0.17   0.28   0.05    -0.08  -0.15  -0.02     0.14   0.22   0.05
    17   1    -0.15   0.19  -0.14    -0.06  -0.11   0.03     0.05   0.14  -0.05
    18   8     0.03  -0.14  -0.18     0.26   0.48  -0.03    -0.02   0.00   0.08
    19   8     0.17  -0.14   0.02    -0.04  -0.33  -0.03    -0.14  -0.23   0.03
    20   1     0.18  -0.08   0.12    -0.13  -0.59  -0.04    -0.14  -0.24  -0.00
    21   6    -0.05   0.00  -0.15     0.00   0.02  -0.01    -0.01   0.01  -0.10
    22   6    -0.02  -0.01  -0.06    -0.02   0.03  -0.01     0.01   0.00  -0.01
    23   6    -0.00   0.00   0.06    -0.03   0.01   0.02     0.02   0.01  -0.02
    24   8    -0.03  -0.02  -0.11    -0.03   0.05  -0.05     0.02  -0.01   0.08
    25   6    -0.00  -0.03  -0.03    -0.05   0.06  -0.07     0.05  -0.02   0.29
    26   1    -0.07   0.02  -0.19     0.03  -0.01   0.01    -0.02   0.02  -0.21
    27   1    -0.06  -0.01  -0.25     0.01   0.03  -0.03    -0.01   0.00  -0.11
    28   1     0.02  -0.00   0.13    -0.05   0.02   0.03     0.03   0.00   0.04
    29   1     0.05  -0.10   0.02    -0.03   0.06  -0.06    -0.04  -0.12   0.32
    30   1    -0.01  -0.04  -0.10    -0.06   0.09  -0.11     0.06  -0.03   0.39
    31   1    -0.04   0.05   0.03    -0.10   0.05  -0.06     0.15   0.08   0.31
                      4                      5                      6
                      A                      A                      A
 Frequencies --     96.1629               127.4601               139.0871
 Red. masses --      4.0011                 4.4316                 4.0576
 Frc consts  --      0.0218                 0.0424                 0.0462
 IR Inten    --      2.9566                 0.3348                 0.2755
 RamAct Fr= 1--      2.4593                 0.3284                 0.5737
  Dep-P Fr= 1--      0.7112                 0.2695                 0.7490
  Dep-U Fr= 1--      0.8312                 0.4246                 0.8565
 Alpha2 Fr= 1--      0.0017                 0.0037                 0.0000
 Beta2  Fr= 1--      0.3407                 0.0232                 0.0819
 AlphaG Fr= 1--      0.0014                 0.0149                -0.0009
 Gamma2 Fr= 1--     -0.2136                 0.2462                 1.2284
 Delta2 Fr= 1--      0.3373                -0.3058                 1.0075
 Raman1 Fr= 1--       9.837                  1.314                  2.295
 ROA1   Fr= 1--      -9.715                 13.847                150.169
 CID1   Fr= 1--      -0.988                 10.541                 65.440
 Raman2 Fr= 1--       4.089                  0.279                  0.983
 ROA2   Fr= 1--      -7.826                  8.354                 21.423
 CID2   Fr= 1--      -1.914                 29.955                 21.799
 Raman3 Fr= 1--       8.177                  0.558                  1.965
 ROA3   Fr= 1--      -9.715                 13.847                150.169
 CID3   Fr= 1--      -1.188                 24.824                 76.403
 RC180  Fr= 1--       0.662                 -0.151                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03   0.04    -0.02  -0.08  -0.13     0.03  -0.10   0.09
     2   6    -0.03  -0.02  -0.10    -0.04  -0.07  -0.10     0.01  -0.09   0.12
     3   6    -0.00  -0.04   0.13    -0.02  -0.09  -0.08     0.01  -0.09   0.02
     4   6    -0.01  -0.04   0.09    -0.00  -0.08   0.03     0.01  -0.08  -0.07
     5   6    -0.03  -0.03  -0.04    -0.01  -0.08   0.02     0.02  -0.08  -0.06
     6   6    -0.04  -0.02  -0.13    -0.03  -0.07  -0.06     0.02  -0.09   0.06
     7   6    -0.00  -0.02   0.04     0.01  -0.05  -0.13     0.06  -0.06   0.06
     8   1     0.01  -0.04   0.21    -0.03  -0.08  -0.10     0.00  -0.09   0.03
     9   1    -0.04  -0.04  -0.08    -0.01  -0.09   0.08     0.01  -0.08  -0.13
    10   1    -0.05  -0.02  -0.24    -0.02  -0.07  -0.05     0.03  -0.09   0.08
    11   6    -0.01  -0.02   0.06    -0.01   0.01   0.08    -0.01   0.03  -0.04
    12   6    -0.06  -0.01   0.03     0.03   0.16   0.04     0.10   0.21  -0.05
    13   6     0.07   0.02   0.02     0.05   0.02   0.04    -0.04   0.03  -0.03
    14   1    -0.04  -0.02   0.04    -0.10   0.01   0.15    -0.11   0.04   0.05
    15   1    -0.07   0.05  -0.03     0.01   0.27   0.05     0.08   0.30   0.04
    16   1    -0.13  -0.06   0.05    -0.02   0.18   0.08     0.12   0.27  -0.03
    17   1     0.00  -0.02   0.06     0.13   0.16  -0.04     0.19   0.22  -0.18
    18   8     0.07   0.03  -0.04     0.05   0.03  -0.01    -0.04   0.02   0.02
    19   8     0.16   0.08   0.06     0.13   0.06   0.07    -0.09   0.04  -0.05
    20   1     0.15   0.07   0.11     0.12   0.05   0.12    -0.08   0.04  -0.09
    21   6    -0.01  -0.00  -0.04     0.02  -0.02  -0.01     0.05  -0.02  -0.02
    22   6    -0.03   0.00  -0.12    -0.01  -0.01   0.07     0.02  -0.01  -0.01
    23   6    -0.05  -0.00  -0.17    -0.05  -0.04  -0.03    -0.01  -0.05   0.12
    24   8    -0.03   0.02  -0.12    -0.00   0.06   0.24    -0.00   0.08  -0.17
    25   6    -0.03   0.03   0.24    -0.13   0.11  -0.10    -0.10   0.13   0.05
    26   1     0.02  -0.02   0.13     0.04  -0.06  -0.18     0.10  -0.08   0.05
    27   1    -0.00   0.00  -0.02     0.04  -0.00   0.04     0.07  -0.00  -0.09
    28   1    -0.06   0.00  -0.25    -0.08  -0.03   0.00    -0.05  -0.04   0.14
    29   1    -0.18  -0.18   0.32    -0.21   0.35  -0.25    -0.04  -0.09   0.19
    30   1    -0.01   0.05   0.39    -0.12   0.19  -0.03    -0.10   0.23  -0.08
    31   1     0.11   0.22   0.30    -0.16  -0.17  -0.27    -0.23   0.28   0.22
                      7                      8                      9
                      A                      A                      A
 Frequencies --    187.7822               209.6128               213.2491
 Red. masses --      3.2557                 1.0819                 3.1635
 Frc consts  --      0.0676                 0.0280                 0.0848
 IR Inten    --      0.9679                 0.5582                 2.5538
 RamAct Fr= 1--      0.1518                 0.3642                 7.4524
  Dep-P Fr= 1--      0.1259                 0.4108                 0.3131
  Dep-U Fr= 1--      0.2236                 0.5823                 0.4769
 Alpha2 Fr= 1--      0.0025                 0.0026                 0.0735
 Beta2  Fr= 1--      0.0057                 0.0353                 0.5923
 AlphaG Fr= 1--      0.0016                 0.0036                -0.0252
 Gamma2 Fr= 1--     -0.2298                -0.2053                -0.8490
 Delta2 Fr= 1--      0.0646                -0.0673                -0.4563
 Raman1 Fr= 1--       0.607                  1.457                 29.810
 ROA1   Fr= 1--     -19.998                -21.863                -96.106
 CID1   Fr= 1--     -32.924                -15.009                 -3.224
 Raman2 Fr= 1--       0.068                  0.424                  7.107
 ROA2   Fr= 1--      -6.033                 -4.388                -16.726
 CID2   Fr= 1--     -88.845                -10.346                 -2.353
 Raman3 Fr= 1--       0.136                  0.848                 14.215
 ROA3   Fr= 1--     -19.998                -21.863                -96.106
 CID3   Fr= 1--    -147.244                -25.774                 -6.761
 RC180  Fr= 1--      -0.553                  0.165                 -0.046
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02  -0.08    -0.00   0.00  -0.01     0.03  -0.02   0.06
     2   6     0.01  -0.02  -0.10     0.00   0.00  -0.01     0.01  -0.01   0.01
     3   6    -0.01  -0.01  -0.13    -0.00  -0.00  -0.02     0.02  -0.06   0.12
     4   6     0.01  -0.00   0.00    -0.00  -0.00  -0.00    -0.02  -0.09   0.06
     5   6     0.04  -0.01   0.22     0.00  -0.00   0.02    -0.02  -0.09   0.02
     6   6     0.03  -0.02   0.12    -0.00   0.00   0.01    -0.03  -0.05   0.01
     7   6     0.03  -0.02   0.10     0.00   0.00   0.01     0.07   0.02  -0.03
     8   1    -0.02  -0.00  -0.22    -0.00  -0.00  -0.04     0.07  -0.08   0.15
     9   1     0.07  -0.01   0.44     0.00  -0.00   0.04    -0.03  -0.09  -0.01
    10   1     0.05  -0.03   0.23    -0.00   0.00   0.03    -0.07  -0.04  -0.02
    11   6    -0.00   0.02  -0.02    -0.01   0.01   0.00    -0.06  -0.02   0.00
    12   6    -0.03   0.03  -0.04     0.03   0.00   0.02    -0.15   0.08  -0.07
    13   6    -0.03   0.01  -0.02    -0.01   0.01  -0.00    -0.06   0.01  -0.01
    14   1    -0.01   0.02  -0.01    -0.03   0.02  -0.01    -0.12  -0.02   0.03
    15   1     0.00  -0.09   0.00    -0.10   0.49  -0.21    -0.17   0.16  -0.18
    16   1     0.04   0.16  -0.02    -0.32  -0.44  -0.00    -0.28   0.10   0.01
    17   1    -0.17   0.05  -0.12     0.54  -0.05   0.30    -0.09   0.08  -0.13
    18   8    -0.03   0.00   0.01    -0.02  -0.01  -0.03    -0.05   0.03   0.02
    19   8    -0.06   0.00  -0.03    -0.01  -0.02   0.00    -0.09   0.04  -0.03
    20   1    -0.06   0.01  -0.06    -0.00  -0.01   0.02    -0.10   0.00  -0.06
    21   6     0.04  -0.01   0.18     0.00   0.01   0.02     0.05   0.06  -0.10
    22   6     0.02  -0.01  -0.05     0.00   0.01   0.00     0.05   0.06  -0.03
    23   6    -0.00  -0.01  -0.20     0.00   0.01  -0.01     0.02   0.04  -0.04
    24   8     0.02   0.02  -0.05     0.00   0.00  -0.01     0.07   0.02   0.07
    25   6    -0.01   0.03   0.04     0.01  -0.00   0.00     0.19  -0.03  -0.03
    26   1     0.05  -0.02   0.23     0.01   0.00   0.02     0.11   0.00  -0.06
    27   1     0.06  -0.02   0.38     0.01   0.01   0.04     0.06   0.07  -0.17
    28   1    -0.02  -0.01  -0.30    -0.00   0.01  -0.01    -0.01   0.05  -0.05
    29   1    -0.20   0.03  -0.01     0.03  -0.01   0.01     0.03   0.15  -0.18
    30   1     0.01   0.05   0.24     0.01  -0.01  -0.01     0.21  -0.16   0.25
    31   1     0.14   0.02  -0.04     0.02   0.01   0.01     0.46  -0.15  -0.22
                     10                     11                     12
                      A                      A                      A
 Frequencies --    220.1036               241.1905               284.6901
 Red. masses --      2.6540                 1.6417                 2.7693
 Frc consts  --      0.0758                 0.0563                 0.1322
 IR Inten    --      1.9403                 0.3960                 1.8887
 RamAct Fr= 1--      2.4363                 1.5559                 2.4573
  Dep-P Fr= 1--      0.6713                 0.2026                 0.4393
  Dep-U Fr= 1--      0.8033                 0.3369                 0.6104
 Alpha2 Fr= 1--      0.0034                 0.0210                 0.0157
 Beta2  Fr= 1--      0.3262                 0.0874                 0.2500
 AlphaG Fr= 1--     -0.0002                 0.0028                -0.0089
 Gamma2 Fr= 1--     -1.6317                 0.4019                 0.4820
 Delta2 Fr= 1--     -0.5598                 0.0701                -0.1012
 Raman1 Fr= 1--       9.745                  6.224                  9.829
 ROA1   Fr= 1--    -174.558                 40.831                 43.028
 CID1   Fr= 1--     -17.912                  6.560                  4.378
 Raman2 Fr= 1--       3.914                  1.048                  3.000
 ROA2   Fr= 1--     -34.683                  9.085                 12.377
 CID2   Fr= 1--      -8.860                  8.667                  4.126
 Raman3 Fr= 1--       7.829                  2.097                  6.000
 ROA3   Fr= 1--    -174.558                 40.831                 43.028
 CID3   Fr= 1--     -22.297                 19.474                  7.171
 RC180  Fr= 1--       0.607                 -0.326                  0.221
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02  -0.07    -0.01   0.02   0.04     0.00   0.01   0.08
     2   6    -0.05   0.03  -0.02    -0.03   0.02   0.05    -0.02   0.02  -0.04
     3   6    -0.01  -0.05  -0.11    -0.00  -0.01  -0.00     0.02  -0.01   0.14
     4   6    -0.04  -0.09  -0.03    -0.00  -0.02  -0.04     0.02  -0.02   0.03
     5   6    -0.08  -0.08  -0.00    -0.04  -0.01  -0.01    -0.01  -0.01   0.09
     6   6    -0.09  -0.01  -0.01    -0.04   0.01   0.06    -0.02   0.01   0.06
     7   6     0.00   0.04   0.02    -0.03   0.01   0.02    -0.02   0.01   0.01
     8   1     0.03  -0.06  -0.15     0.01  -0.01  -0.01     0.04  -0.02   0.18
     9   1    -0.11  -0.10   0.03    -0.06  -0.03  -0.02    -0.02  -0.03   0.14
    10   1    -0.15   0.00   0.02    -0.05   0.02   0.09    -0.03   0.02   0.09
    11   6    -0.03  -0.06   0.02     0.02  -0.02  -0.03     0.03  -0.02  -0.06
    12   6     0.05   0.06   0.02     0.16   0.01   0.02     0.15   0.01  -0.02
    13   6     0.01  -0.02   0.02     0.02  -0.01  -0.02     0.02  -0.00  -0.05
    14   1    -0.08  -0.06   0.07    -0.00  -0.02  -0.01     0.01  -0.01  -0.05
    15   1     0.06   0.04   0.13     0.16   0.03   0.17     0.14   0.06   0.10
    16   1     0.13   0.18   0.03     0.26   0.03  -0.03     0.23   0.01  -0.07
    17   1     0.02   0.07  -0.12     0.19   0.01  -0.01     0.21   0.01  -0.04
    18   8     0.03   0.02  -0.00     0.02  -0.00  -0.02     0.01  -0.01  -0.00
    19   8     0.07   0.03   0.04     0.03   0.00  -0.01    -0.04   0.01  -0.09
    20   1     0.05  -0.00   0.07     0.03   0.00  -0.01    -0.04   0.01  -0.14
    21   6    -0.00   0.07   0.10    -0.04   0.02  -0.02    -0.03   0.01  -0.09
    22   6    -0.02   0.07   0.04    -0.04   0.02  -0.02    -0.04   0.01  -0.06
    23   6    -0.03   0.07   0.04    -0.03   0.03   0.00    -0.04   0.02  -0.16
    24   8    -0.02  -0.01  -0.06    -0.04  -0.01  -0.02    -0.02  -0.02   0.15
    25   6     0.16  -0.09  -0.01     0.01  -0.04  -0.01    -0.02  -0.03   0.01
    26   1     0.03   0.03   0.04    -0.03   0.02   0.02    -0.03   0.01   0.03
    27   1     0.02   0.09   0.17    -0.03   0.03  -0.04    -0.03   0.02  -0.12
    28   1    -0.04   0.07   0.06    -0.03   0.03  -0.04    -0.03   0.02  -0.17
    29   1     0.53  -0.21   0.16    -0.38   0.13  -0.21     0.38  -0.09   0.15
    30   1     0.12  -0.24  -0.37     0.05  -0.10   0.51    -0.06  -0.03  -0.47
    31   1    -0.01   0.12   0.21     0.41  -0.18  -0.29    -0.36   0.04   0.22
                     13                     14                     15
                      A                      A                      A
 Frequencies --    301.0332               382.7621               400.5402
 Red. masses --      4.1729                 4.4356                 5.1402
 Frc consts  --      0.2228                 0.3829                 0.4859
 IR Inten    --     10.1313                 5.9554                 1.1615
 RamAct Fr= 1--      5.6063                 1.3998                 1.1683
  Dep-P Fr= 1--      0.1631                 0.5872                 0.7497
  Dep-U Fr= 1--      0.2805                 0.7399                 0.8570
 Alpha2 Fr= 1--      0.0838                 0.0043                 0.0000
 Beta2  Fr= 1--      0.2621                 0.1726                 0.1669
 AlphaG Fr= 1--      0.0954                 0.0027                 0.0004
 Gamma2 Fr= 1--      0.9351                -1.0048                 1.7734
 Delta2 Fr= 1--      0.3054                 0.0776                 0.4971
 Raman1 Fr= 1--      22.425                  5.599                  4.673
 ROA1   Fr= 1--      99.544                -93.977                186.149
 CID1   Fr= 1--       4.439                -16.784                 39.832
 Raman2 Fr= 1--       3.145                  2.071                  2.002
 ROA2   Fr= 1--      19.999                -24.735                 38.584
 CID2   Fr= 1--       6.358                -11.941                 19.268
 Raman3 Fr= 1--       6.291                  4.143                  4.005
 ROA3   Fr= 1--      99.544                -93.977                186.149
 CID3   Fr= 1--      15.824                -22.683                 46.480
 RC180  Fr= 1--      -0.439                  0.480                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.07  -0.02    -0.08  -0.17  -0.01     0.02   0.04  -0.09
     2   6    -0.01   0.07   0.00    -0.10  -0.16  -0.01     0.01   0.05  -0.10
     3   6     0.06   0.02  -0.03    -0.10  -0.01   0.02     0.05  -0.03   0.13
     4   6     0.05  -0.02   0.01     0.04   0.12   0.04     0.03  -0.06   0.24
     5   6    -0.02   0.00  -0.00     0.04   0.11   0.03     0.01  -0.06   0.19
     6   6    -0.03   0.06  -0.01     0.05  -0.05  -0.05    -0.04   0.02  -0.21
     7   6    -0.04   0.03  -0.00    -0.01  -0.11  -0.02    -0.00   0.03  -0.13
     8   1     0.09   0.01  -0.03    -0.28   0.05   0.04     0.11  -0.05   0.11
     9   1    -0.05  -0.03  -0.01     0.09   0.15   0.04    -0.02  -0.09   0.27
    10   1    -0.06   0.07  -0.01     0.22  -0.11  -0.10    -0.11   0.04  -0.40
    11   6     0.10  -0.12  -0.02     0.10   0.10  -0.02     0.01   0.02   0.02
    12   6    -0.08   0.08  -0.19     0.02  -0.02  -0.02     0.07   0.00   0.08
    13   6     0.12  -0.10   0.03     0.10   0.02  -0.02     0.02   0.04  -0.07
    14   1     0.14  -0.12   0.07     0.15   0.10  -0.05    -0.06   0.03  -0.01
    15   1    -0.14   0.31  -0.44     0.03  -0.07  -0.09     0.08  -0.03   0.21
    16   1    -0.38   0.07  -0.02    -0.00  -0.09  -0.04     0.19  -0.00   0.00
    17   1     0.11   0.07  -0.29    -0.03  -0.02   0.10     0.06   0.00   0.10
    18   8     0.16  -0.04   0.25     0.07  -0.07   0.09    -0.01  -0.02  -0.08
    19   8    -0.02   0.05  -0.06    -0.02  -0.02  -0.09    -0.11   0.02  -0.16
    20   1    -0.02  -0.02  -0.21     0.02   0.06  -0.17    -0.08   0.06  -0.28
    21   6    -0.04  -0.01   0.02    -0.03   0.04   0.02     0.01   0.00   0.10
    22   6    -0.06  -0.02   0.02    -0.08   0.07   0.04     0.01  -0.00   0.16
    23   6    -0.01   0.03   0.03    -0.14  -0.03   0.05     0.04   0.03   0.16
    24   8    -0.06  -0.05  -0.02    -0.09   0.13  -0.01    -0.01  -0.04  -0.12
    25   6    -0.10  -0.05   0.01     0.17   0.03  -0.02    -0.06  -0.03  -0.01
    26   1    -0.10   0.05  -0.00     0.10  -0.15  -0.05    -0.04   0.04  -0.24
    27   1    -0.04  -0.01   0.04     0.04   0.10   0.02     0.01   0.01   0.10
    28   1     0.04   0.01   0.03    -0.24   0.00   0.06     0.06   0.02   0.17
    29   1    -0.18  -0.05  -0.01     0.29   0.11  -0.03    -0.20  -0.07  -0.02
    30   1    -0.09  -0.01   0.07     0.15  -0.24   0.01    -0.04   0.02   0.14
    31   1    -0.07  -0.06  -0.02     0.34   0.12  -0.04     0.03  -0.02  -0.04
                     16                     17                     18
                      A                      A                      A
 Frequencies --    413.4210               453.9502               488.1798
 Red. masses --      3.3123                 5.0447                 2.5703
 Frc consts  --      0.3336                 0.6125                 0.3609
 IR Inten    --      0.0466                 9.4810                13.2523
 RamAct Fr= 1--      2.3719                 4.7433                 0.2857
  Dep-P Fr= 1--      0.7462                 0.0995                 0.6242
  Dep-U Fr= 1--      0.8547                 0.1810                 0.7686
 Alpha2 Fr= 1--      0.0002                 0.0831                 0.0007
 Beta2  Fr= 1--      0.3379                 0.1431                 0.0366
 AlphaG Fr= 1--      0.0075                -0.1765                -0.0054
 Gamma2 Fr= 1--      0.5215                -1.4989                -0.1968
 Delta2 Fr= 1--      0.0301                -0.4803                -0.0047
 Raman1 Fr= 1--       9.488                 18.973                  1.143
 ROA1   Fr= 1--      51.030               -159.266                -19.044
 CID1   Fr= 1--       5.379                 -8.394                -16.667
 Raman2 Fr= 1--       4.054                  1.717                  0.439
 ROA2   Fr= 1--      12.277                -32.132                 -4.686
 CID2   Fr= 1--       3.028                -18.710                -10.672
 Raman3 Fr= 1--       8.109                  3.435                  0.878
 ROA3   Fr= 1--      51.030               -159.266                -19.044
 CID3   Fr= 1--       6.293                -46.370                -21.684
 RC180  Fr= 1--       0.709                 -0.638                  0.537
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00   0.08    -0.11   0.05   0.00     0.02  -0.00   0.21
     2   6    -0.00   0.00  -0.04    -0.03  -0.00  -0.02     0.01  -0.00   0.18
     3   6    -0.01   0.00  -0.17    -0.13   0.09   0.04    -0.01   0.01  -0.11
     4   6     0.00  -0.01   0.02    -0.13   0.06   0.03     0.00   0.00   0.03
     5   6     0.01  -0.01   0.14    -0.10   0.07   0.05     0.00   0.00   0.07
     6   6    -0.02   0.00  -0.17    -0.07   0.02  -0.02    -0.01   0.00  -0.11
     7   6     0.02  -0.00   0.24    -0.11   0.04   0.00    -0.01   0.00  -0.10
     8   1    -0.03   0.00  -0.39    -0.15   0.10   0.05    -0.04   0.01  -0.44
     9   1     0.02  -0.01   0.29    -0.06   0.11   0.07    -0.00   0.00  -0.00
    10   1    -0.04   0.01  -0.34    -0.08   0.02  -0.03    -0.04   0.01  -0.42
    11   6     0.00   0.00   0.00    -0.07  -0.16  -0.01     0.00  -0.00  -0.02
    12   6     0.00   0.00   0.00     0.07   0.01  -0.01     0.01  -0.00  -0.03
    13   6     0.00   0.01  -0.00    -0.01  -0.14  -0.03    -0.01   0.01   0.01
    14   1    -0.00   0.00  -0.00     0.04  -0.17   0.09    -0.00  -0.00  -0.04
    15   1     0.00   0.00   0.00     0.03   0.18   0.17     0.01   0.01  -0.03
    16   1     0.00   0.00   0.00     0.13   0.04  -0.03     0.01   0.01  -0.03
    17   1    -0.00   0.00   0.00     0.25   0.00  -0.15     0.02  -0.00  -0.05
    18   8    -0.00  -0.00  -0.00     0.06   0.02   0.03    -0.01   0.00   0.01
    19   8    -0.00  -0.01  -0.00     0.02   0.06  -0.05     0.01  -0.02   0.02
    20   1     0.01   0.03  -0.00    -0.05  -0.18  -0.11     0.03   0.08   0.06
    21   6    -0.02   0.01  -0.20    -0.02  -0.12   0.00     0.00  -0.01   0.05
    22   6    -0.01   0.00  -0.09     0.14  -0.14   0.00     0.01  -0.01   0.08
    23   6     0.01   0.00   0.12     0.05  -0.18   0.01    -0.01  -0.00  -0.12
    24   8     0.00  -0.00   0.05     0.18   0.08  -0.02     0.00   0.00  -0.01
    25   6    -0.00  -0.00   0.00     0.14   0.17  -0.01     0.01   0.01   0.00
    26   1     0.04  -0.01   0.46    -0.17   0.06   0.01    -0.05   0.01  -0.46
    27   1    -0.03   0.01  -0.32    -0.19  -0.29   0.01    -0.02  -0.01  -0.13
    28   1     0.03  -0.00   0.34     0.11  -0.20   0.02    -0.04   0.00  -0.48
    29   1    -0.00   0.04  -0.02     0.12   0.15  -0.01     0.03  -0.02   0.02
    30   1    -0.00  -0.00   0.01     0.14   0.19   0.00     0.00   0.00  -0.04
    31   1    -0.01  -0.04  -0.02     0.14   0.15  -0.01    -0.01   0.03   0.03
                     19                     20                     21
                      A                      A                      A
 Frequencies --    498.2907               523.3692               533.2672
 Red. masses --      4.1577                 3.1269                 6.1066
 Frc consts  --      0.6082                 0.5046                 1.0231
 IR Inten    --      4.6455                20.6556                 5.4097
 RamAct Fr= 1--      3.3592                 1.2799                19.0069
  Dep-P Fr= 1--      0.6151                 0.7366                 0.2143
  Dep-U Fr= 1--      0.7617                 0.8483                 0.3529
 Alpha2 Fr= 1--      0.0083                 0.0003                 0.2485
 Beta2  Fr= 1--      0.4264                 0.1810                 1.1180
 AlphaG Fr= 1--      0.0076                 0.0199                -0.0754
 Gamma2 Fr= 1--     -1.5242                 2.6454                -1.5137
 Delta2 Fr= 1--     -0.8684                 0.2105                -0.0228
 Raman1 Fr= 1--      13.437                  5.119                 76.028
 ROA1   Fr= 1--    -174.115                260.691               -146.044
 CID1   Fr= 1--     -12.958                 50.922                 -1.921
 Raman2 Fr= 1--       5.117                  2.171                 13.416
 ROA2   Fr= 1--     -29.634                 61.805                -36.147
 CID2   Fr= 1--      -5.791                 28.462                 -2.694
 Raman3 Fr= 1--      10.234                  4.343                 26.833
 ROA3   Fr= 1--    -174.115                260.691               -146.044
 CID3   Fr= 1--     -17.013                 60.027                 -5.443
 RC180  Fr= 1--       0.523                  0.697                 -0.294
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.03   0.02    -0.03   0.07  -0.01    -0.18  -0.01   0.02
     2   6     0.00   0.02   0.11    -0.02   0.07  -0.03     0.09  -0.10  -0.04
     3   6    -0.03  -0.04  -0.12     0.02  -0.09   0.03    -0.18  -0.08   0.04
     4   6    -0.02  -0.05   0.03     0.03  -0.09  -0.02    -0.07  -0.03  -0.02
     5   6    -0.04  -0.06  -0.12    -0.01  -0.09   0.00     0.16  -0.10   0.00
     6   6    -0.04  -0.00   0.07    -0.04   0.05   0.00     0.16  -0.14  -0.03
     7   6    -0.02   0.05   0.03    -0.09   0.05   0.01    -0.17   0.12   0.01
     8   1    -0.00  -0.05  -0.21     0.10  -0.11   0.04    -0.17  -0.08   0.05
     9   1    -0.09  -0.08  -0.26    -0.09  -0.17   0.05     0.27  -0.01   0.04
    10   1    -0.10   0.02   0.04    -0.14   0.08   0.06     0.16  -0.14  -0.01
    11   6    -0.01   0.11   0.13     0.04   0.14  -0.08    -0.05   0.01  -0.06
    12   6    -0.10   0.03   0.23     0.01  -0.01  -0.08     0.03  -0.02  -0.05
    13   6     0.14   0.02  -0.04     0.06   0.18   0.01     0.02   0.00  -0.01
    14   1    -0.10   0.12   0.17    -0.14   0.16  -0.24    -0.05   0.01  -0.09
    15   1    -0.07  -0.10   0.19     0.03  -0.11  -0.15     0.03   0.01   0.03
    16   1    -0.06  -0.07   0.16     0.01  -0.05  -0.10     0.09  -0.04  -0.10
    17   1    -0.20   0.02   0.42    -0.10  -0.01   0.04     0.07  -0.02  -0.05
    18   8     0.12  -0.08   0.01    -0.03  -0.04   0.08     0.02  -0.02   0.09
    19   8    -0.06   0.02  -0.20     0.03  -0.12   0.04     0.05  -0.03   0.00
    20   1     0.02   0.17  -0.42     0.24   0.56   0.18     0.07   0.05   0.06
    21   6    -0.01   0.01  -0.01    -0.05  -0.09   0.00    -0.20   0.26   0.02
    22   6     0.04  -0.01  -0.08     0.01  -0.08   0.01     0.10   0.14   0.02
    23   6     0.02  -0.01  -0.06     0.01  -0.07   0.01     0.09   0.12   0.00
    24   8     0.07  -0.02   0.03     0.01   0.06  -0.01     0.16  -0.10  -0.02
    25   6    -0.00   0.01   0.00     0.06   0.07  -0.00    -0.06  -0.01   0.00
    26   1    -0.02   0.05   0.07    -0.19   0.08   0.03    -0.01   0.07  -0.03
    27   1    -0.05  -0.04   0.06    -0.14  -0.18   0.01    -0.27   0.19  -0.00
    28   1     0.02  -0.01  -0.10     0.11  -0.10   0.04    -0.14   0.19   0.02
    29   1    -0.01  -0.00   0.01     0.10   0.09  -0.01    -0.21  -0.10   0.01
    30   1    -0.00   0.09  -0.03     0.06  -0.00   0.00    -0.03   0.27   0.01
    31   1    -0.07  -0.02   0.01     0.11   0.09  -0.01    -0.20  -0.09   0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --    541.2006               580.8898               602.8317
 Red. masses --      4.3388                 1.3160                 2.7651
 Frc consts  --      0.7488                 0.2616                 0.5920
 IR Inten    --      6.1101                55.5290                 1.3165
 RamAct Fr= 1--      3.3440                 1.4781                 2.4591
  Dep-P Fr= 1--      0.6728                 0.5686                 0.5069
  Dep-U Fr= 1--      0.8044                 0.7249                 0.6728
 Alpha2 Fr= 1--      0.0046                 0.0051                 0.0118
 Beta2  Fr= 1--      0.4483                 0.1786                 0.2757
 AlphaG Fr= 1--      0.0215                 0.0992                -0.0024
 Gamma2 Fr= 1--      1.3906                 1.4417                -0.3321
 Delta2 Fr= 1--      0.1728                 0.3180                -0.0526
 Raman1 Fr= 1--      13.376                  5.912                  9.836
 ROA1   Fr= 1--     139.031                148.575                -33.563
 CID1   Fr= 1--      10.394                 25.130                 -3.412
 Raman2 Fr= 1--       5.380                  2.143                  3.309
 ROA2   Fr= 1--      31.993                 32.056                 -7.550
 CID2   Fr= 1--       5.947                 14.958                 -2.282
 Raman3 Fr= 1--      10.760                  4.286                  6.617
 ROA3   Fr= 1--     139.031                148.575                -33.563
 CID3   Fr= 1--      12.921                 34.664                 -5.072
 RC180  Fr= 1--       0.609                  0.450                  0.346
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.07   0.00     0.01  -0.00  -0.01     0.02   0.00   0.10
     2   6     0.11   0.04   0.02     0.03  -0.01   0.00    -0.00   0.01  -0.16
     3   6     0.05  -0.05  -0.03     0.01   0.04   0.00     0.01   0.00   0.01
     4   6     0.06  -0.08   0.01    -0.02   0.02   0.02    -0.02  -0.00  -0.20
     5   6     0.20  -0.10  -0.03     0.01   0.02  -0.01     0.01  -0.01   0.01
     6   6     0.17   0.01  -0.01     0.03  -0.02   0.00     0.00  -0.00  -0.01
     7   6    -0.17  -0.01   0.02    -0.00  -0.03  -0.00     0.01  -0.01   0.05
     8   1     0.17  -0.08  -0.06     0.00   0.04  -0.02     0.04  -0.00   0.19
     9   1     0.20  -0.10  -0.07     0.05   0.05  -0.03     0.04  -0.02   0.41
    10   1     0.11   0.03  -0.03     0.05  -0.03   0.00     0.02  -0.01   0.36
    11   6     0.02  -0.08   0.07    -0.03  -0.09   0.03    -0.02   0.02   0.03
    12   6    -0.02  -0.00   0.05    -0.00  -0.00   0.01    -0.05   0.02   0.08
    13   6    -0.04  -0.07   0.01    -0.02  -0.05  -0.00     0.01  -0.05  -0.01
    14   1     0.05  -0.08   0.15     0.03  -0.09   0.04    -0.02   0.01   0.11
    15   1    -0.03   0.02   0.01    -0.02   0.07   0.06    -0.04  -0.02   0.04
    16   1    -0.07   0.05   0.11    -0.00   0.05   0.04    -0.07  -0.03   0.07
    17   1    -0.02   0.00  -0.02     0.06   0.00  -0.08    -0.09   0.02   0.15
    18   8    -0.01   0.03  -0.09     0.02   0.04  -0.02     0.04   0.00   0.01
    19   8    -0.04   0.07   0.00    -0.03  -0.04  -0.02     0.01   0.01  -0.03
    20   1    -0.18  -0.38  -0.09     0.29   0.92   0.02     0.05   0.11  -0.06
    21   6    -0.17  -0.07   0.01    -0.01  -0.00   0.00     0.00  -0.01  -0.06
    22   6    -0.09  -0.04  -0.01    -0.01   0.01  -0.02     0.01  -0.01   0.24
    23   6     0.04   0.01  -0.01     0.01   0.02   0.00     0.01   0.01  -0.02
    24   8    -0.14   0.14   0.02    -0.02   0.01   0.01    -0.02   0.01  -0.05
    25   6     0.08   0.08  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    26   1    -0.30   0.03   0.04     0.00  -0.03   0.02    -0.03   0.00  -0.25
    27   1    -0.21  -0.11   0.03     0.01   0.02   0.04    -0.03   0.01  -0.54
    28   1     0.14  -0.02  -0.03     0.01   0.02   0.02    -0.00   0.01  -0.26
    29   1     0.23   0.16  -0.01     0.01   0.01  -0.00    -0.01  -0.02   0.01
    30   1     0.05  -0.20  -0.01    -0.00  -0.03  -0.00    -0.00  -0.03   0.02
    31   1     0.22   0.16  -0.02     0.01   0.00  -0.00     0.04   0.04   0.00
                     25                     26                     27
                      A                      A                      A
 Frequencies --    641.7999               682.4313               694.9994
 Red. masses --      5.1592                 5.2859                 3.7677
 Frc consts  --      1.2521                 1.4504                 1.0723
 IR Inten    --      1.3005                 3.6626                 9.0598
 RamAct Fr= 1--      1.1057                 1.0242                 0.1786
  Dep-P Fr= 1--      0.7194                 0.1470                 0.3210
  Dep-U Fr= 1--      0.8368                 0.2563                 0.4860
 Alpha2 Fr= 1--      0.0006                 0.0160                 0.0017
 Beta2  Fr= 1--      0.1542                 0.0438                 0.0145
 AlphaG Fr= 1--     -0.0114                -0.0270                 0.0078
 Gamma2 Fr= 1--      0.4699                 0.0871                -0.5011
 Delta2 Fr= 1--     -0.2105                 0.0589                -0.3778
 Raman1 Fr= 1--       4.423                  4.097                  0.714
 ROA1   Fr= 1--      38.370                 10.244                -60.189
 CID1   Fr= 1--       8.675                  2.500                -84.258
 Raman2 Fr= 1--       1.851                  0.525                  0.174
 ROA2   Fr= 1--      12.961                  1.619                 -9.003
 CID2   Fr= 1--       7.004                  3.083                -51.862
 Raman3 Fr= 1--       3.701                  1.050                  0.347
 ROA3   Fr= 1--      38.370                 10.244                -60.189
 CID3   Fr= 1--      10.367                  9.754               -173.356
 RC180  Fr= 1--       0.674                 -0.487                 -0.028
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11   0.03  -0.01    -0.06   0.02   0.07    -0.04   0.02  -0.11
     2   6     0.16   0.00   0.00    -0.06   0.03   0.04    -0.02   0.01  -0.03
     3   6     0.05   0.18   0.02    -0.07  -0.14   0.06    -0.06  -0.04  -0.06
     4   6    -0.15   0.02   0.01    -0.01  -0.03  -0.16    -0.00  -0.02   0.25
     5   6    -0.04  -0.05   0.02     0.16   0.00   0.06     0.08   0.01  -0.09
     6   6    -0.00  -0.18  -0.02     0.10   0.18  -0.09     0.08   0.08   0.10
     7   6     0.01  -0.12  -0.02     0.10   0.18  -0.10     0.08   0.10   0.12
     8   1     0.12   0.15  -0.02    -0.05  -0.14   0.13    -0.06  -0.05  -0.22
     9   1     0.10   0.09  -0.03     0.12  -0.05   0.28     0.05   0.02  -0.49
    10   1    -0.07  -0.15  -0.07     0.12   0.18  -0.09     0.09   0.07  -0.02
    11   6    -0.21   0.05  -0.10    -0.11   0.01  -0.04    -0.08  -0.04  -0.03
    12   6    -0.04   0.02   0.04    -0.05   0.02   0.07     0.01  -0.02  -0.03
    13   6    -0.00   0.04  -0.11    -0.09  -0.13  -0.09    -0.03   0.02  -0.05
    14   1    -0.29   0.06  -0.13    -0.06  -0.00   0.12    -0.08  -0.04  -0.09
    15   1    -0.03   0.06   0.35    -0.05   0.02   0.20    -0.01   0.08   0.19
    16   1     0.21  -0.10  -0.17     0.05  -0.08  -0.04     0.13   0.01  -0.09
    17   1     0.09   0.00   0.14    -0.02   0.01   0.18     0.15  -0.02  -0.11
    18   8    -0.02  -0.03   0.20    -0.01   0.05   0.11    -0.04   0.01   0.06
    19   8     0.15  -0.05  -0.09     0.10  -0.01  -0.07     0.05  -0.02  -0.04
    20   1     0.04  -0.28   0.13     0.10   0.08   0.13     0.03  -0.03   0.10
    21   6    -0.00  -0.07   0.01     0.15   0.01   0.06     0.08   0.01  -0.10
    22   6    -0.05  -0.00  -0.04    -0.02  -0.03  -0.16     0.01  -0.02   0.20
    23   6     0.12   0.11   0.00    -0.08  -0.12   0.05    -0.04  -0.07  -0.06
    24   8    -0.11   0.06   0.02    -0.07   0.01   0.03    -0.06   0.02  -0.02
    25   6    -0.01   0.00   0.00    -0.03  -0.06   0.00    -0.02  -0.04  -0.00
    26   1    -0.05  -0.10   0.03     0.13   0.17  -0.05     0.09   0.10   0.11
    27   1     0.08  -0.00   0.10     0.14  -0.03   0.35     0.04  -0.00  -0.41
    28   1     0.21   0.08   0.05    -0.03  -0.14   0.26    -0.04  -0.07  -0.31
    29   1     0.08   0.05  -0.00     0.03  -0.01  -0.01     0.01  -0.04   0.00
    30   1    -0.02  -0.14  -0.00    -0.03  -0.13  -0.00    -0.02  -0.10   0.00
    31   1     0.07   0.04  -0.01     0.01  -0.05  -0.01     0.03   0.00   0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --    748.6629               781.5258               791.4097
 Red. masses --      5.7687                 2.6690                 3.3700
 Frc consts  --      1.9050                 0.9605                 1.2436
 IR Inten    --      6.7702                 0.7127                 0.5641
 RamAct Fr= 1--     38.4996                 6.4270                23.0274
  Dep-P Fr= 1--      0.0657                 0.1068                 0.0921
  Dep-U Fr= 1--      0.1233                 0.1930                 0.1686
 Alpha2 Fr= 1--      0.7325                 0.1107                 0.4111
 Beta2  Fr= 1--      0.7910                 0.2067                 0.6471
 AlphaG Fr= 1--     -0.2805                -0.1012                 0.2908
 Gamma2 Fr= 1--     -1.8720                 0.6723                 1.5049
 Delta2 Fr= 1--      0.3168                 0.6668                -0.0136
 Raman1 Fr= 1--     153.998                 25.708                 92.110
 ROA1   Fr= 1--    -169.576                 85.880                144.036
 CID1   Fr= 1--      -1.101                  3.341                  1.564
 Raman2 Fr= 1--       9.492                  2.480                  7.765
 ROA2   Fr= 1--     -47.464                 10.801                 36.226
 CID2   Fr= 1--      -5.000                  4.354                  4.666
 Raman3 Fr= 1--      18.984                  4.961                 15.529
 ROA3   Fr= 1--    -169.576                 85.880                144.036
 CID3   Fr= 1--      -8.933                 17.312                  9.275
 RC180  Fr= 1--      -0.753                 -0.614                 -0.663
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.11   0.06     0.01  -0.04   0.20    -0.02  -0.06  -0.09
     2   6     0.05  -0.07  -0.03    -0.02   0.03  -0.20     0.02   0.07   0.11
     3   6    -0.08   0.12   0.00    -0.02  -0.03  -0.04    -0.08  -0.07   0.02
     4   6    -0.13   0.02  -0.04    -0.00  -0.01   0.09    -0.06  -0.02  -0.08
     5   6     0.01  -0.05  -0.02     0.01   0.03  -0.09     0.05   0.05   0.03
     6   6     0.04  -0.20  -0.03     0.03   0.09   0.05     0.04   0.19  -0.06
     7   6     0.09   0.28  -0.02    -0.00  -0.07  -0.03     0.01  -0.15   0.00
     8   1    -0.02   0.10   0.05    -0.07  -0.02  -0.35    -0.10  -0.06   0.26
     9   1     0.21   0.11   0.15    -0.00   0.01  -0.02     0.03   0.02   0.20
    10   1     0.04  -0.21   0.12     0.05   0.09   0.28     0.02   0.20   0.01
    11   6    -0.03  -0.05   0.01    -0.05  -0.06  -0.00    -0.12  -0.10  -0.02
    12   6     0.02  -0.03  -0.05    -0.01  -0.01   0.01    -0.04  -0.02   0.01
    13   6     0.18   0.15   0.14     0.04   0.07   0.01     0.12   0.14   0.07
    14   1    -0.12  -0.03  -0.22    -0.09  -0.05  -0.12    -0.23  -0.08  -0.27
    15   1    -0.00   0.07  -0.00    -0.04   0.10   0.13    -0.08   0.18   0.25
    16   1     0.02   0.08   0.00     0.03   0.07   0.02     0.07   0.12   0.02
    17   1     0.09  -0.02  -0.22     0.10  -0.01  -0.14     0.17  -0.01  -0.23
    18   8     0.09  -0.10  -0.10    -0.00  -0.02  -0.00     0.05  -0.07  -0.03
    19   8    -0.13   0.01   0.10    -0.01  -0.01  -0.00    -0.05  -0.01   0.04
    20   1    -0.10  -0.06  -0.28    -0.02  -0.06  -0.03    -0.05  -0.07  -0.16
    21   6     0.14   0.01   0.02     0.00  -0.01   0.10     0.01  -0.03  -0.05
    22   6     0.01  -0.04  -0.04    -0.01   0.01  -0.08    -0.01   0.01   0.02
    23   6     0.01  -0.12   0.01     0.01   0.03  -0.00     0.04   0.08   0.02
    24   8    -0.15   0.06   0.02     0.02  -0.01  -0.00     0.02  -0.01   0.00
    25   6    -0.05  -0.07   0.00     0.01   0.01  -0.00     0.00   0.01   0.00
    26   1     0.07   0.29  -0.09    -0.01  -0.07  -0.39     0.08  -0.17   0.18
    27   1     0.04  -0.08   0.03     0.03   0.03  -0.15     0.12   0.06   0.11
    28   1     0.05  -0.14   0.08     0.07   0.02   0.59     0.06   0.08  -0.39
    29   1     0.06  -0.01  -0.00    -0.01   0.01  -0.01    -0.00   0.00   0.00
    30   1    -0.06  -0.27   0.00     0.01   0.03   0.03     0.00   0.04  -0.02
    31   1     0.06  -0.02  -0.01    -0.01  -0.01  -0.01    -0.01   0.01   0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --    814.4460               827.9605               834.5613
 Red. masses --      2.7915                 1.4916                 1.7777
 Frc consts  --      1.0910                 0.6025                 0.7295
 IR Inten    --     13.6835                 9.1212                 9.6949
 RamAct Fr= 1--      3.2489                 0.4602                 0.8133
  Dep-P Fr= 1--      0.5399                 0.7371                 0.2787
  Dep-U Fr= 1--      0.7012                 0.8487                 0.4360
 Alpha2 Fr= 1--      0.0131                 0.0001                 0.0089
 Beta2  Fr= 1--      0.3797                 0.0651                 0.0591
 AlphaG Fr= 1--     -0.0199                 0.0017                -0.1136
 Gamma2 Fr= 1--      1.1396                -1.3984                -0.3377
 Delta2 Fr= 1--      0.3057                -0.3977                -0.2080
 Raman1 Fr= 1--      12.995                  1.841                  3.253
 ROA1   Fr= 1--     119.179               -146.967                -39.073
 CID1   Fr= 1--       9.171                -79.835                -12.011
 Raman2 Fr= 1--       4.556                  0.781                  0.709
 ROA2   Fr= 1--      24.904                -30.379                 -6.441
 CID2   Fr= 1--       5.466                -38.891                 -9.083
 Raman3 Fr= 1--       9.112                  1.562                  1.418
 ROA3   Fr= 1--     119.179               -146.967                -39.073
 CID3   Fr= 1--      13.079                -94.072                -27.550
 RC180  Fr= 1--       0.402                  0.697                 -0.128
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.02  -0.00    -0.01  -0.01   0.06     0.02   0.00   0.08
     2   6    -0.05  -0.06   0.05     0.01   0.02  -0.02    -0.02  -0.02  -0.06
     3   6     0.11   0.06  -0.03    -0.03  -0.01   0.01     0.04   0.02   0.03
     4   6     0.06  -0.01   0.02    -0.01   0.00   0.09     0.01  -0.00  -0.07
     5   6     0.00   0.04  -0.05    -0.01  -0.01  -0.09     0.01   0.01   0.04
     6   6     0.01  -0.03  -0.07    -0.01   0.00  -0.05     0.01  -0.00   0.06
     7   6    -0.03   0.05   0.01     0.00  -0.01  -0.06    -0.02   0.01  -0.09
     8   1     0.17   0.04   0.11    -0.07  -0.00  -0.30     0.05   0.02  -0.28
     9   1     0.06   0.05   0.39     0.02  -0.03   0.35    -0.01   0.02  -0.26
    10   1     0.16  -0.08   0.38     0.00   0.00   0.52     0.02  -0.01  -0.31
    11   6     0.04  -0.14   0.05     0.00   0.04  -0.01    -0.01  -0.04  -0.01
    12   6    -0.02  -0.02   0.08     0.02   0.00  -0.04    -0.02   0.00   0.04
    13   6    -0.01   0.16  -0.05    -0.01  -0.05  -0.00     0.02   0.04   0.01
    14   1    -0.00  -0.12  -0.14     0.03   0.04   0.08    -0.04  -0.03  -0.07
    15   1    -0.06   0.15   0.04     0.03  -0.05  -0.03    -0.04   0.05   0.05
    16   1    -0.14   0.22   0.28     0.05  -0.08  -0.10    -0.04   0.06   0.08
    17   1     0.07   0.01  -0.25    -0.02  -0.01   0.07     0.01   0.01  -0.05
    18   8    -0.10   0.00   0.04     0.01   0.01  -0.00    -0.00  -0.01   0.00
    19   8     0.07  -0.04  -0.09    -0.01   0.01   0.02     0.00  -0.01  -0.01
    20   1     0.02  -0.11   0.11    -0.01   0.01   0.00    -0.00  -0.02  -0.01
    21   6    -0.05   0.05   0.00     0.01  -0.01  -0.06    -0.03   0.02  -0.09
    22   6    -0.00   0.01  -0.04     0.00  -0.00   0.01     0.01   0.00   0.12
    23   6    -0.09  -0.08   0.05     0.03   0.02   0.06    -0.04  -0.02  -0.05
    24   8     0.04  -0.02   0.01    -0.01   0.01   0.00     0.01  -0.01  -0.03
    25   6     0.01   0.01  -0.00    -0.00  -0.00  -0.00     0.01   0.01  -0.00
    26   1    -0.06   0.06  -0.01     0.04  -0.02   0.34     0.02   0.00   0.55
    27   1    -0.09   0.01   0.05     0.06  -0.02   0.40     0.02  -0.00   0.53
    28   1    -0.22  -0.04  -0.30     0.02   0.02  -0.38    -0.06  -0.02   0.25
    29   1    -0.01  -0.01   0.00     0.01  -0.00   0.00    -0.01  -0.01  -0.00
    30   1     0.02   0.06  -0.02    -0.01  -0.02  -0.01     0.01   0.03   0.02
    31   1    -0.02  -0.01   0.01     0.00   0.00   0.00    -0.00   0.00  -0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --    867.9941               883.5904               915.1010
 Red. masses --      3.0791                 1.8318                 1.5449
 Frc consts  --      1.3668                 0.8426                 0.7623
 IR Inten    --      6.3848                34.2662                13.0548
 RamAct Fr= 1--     28.7152                 1.9788                 0.6604
  Dep-P Fr= 1--      0.1004                 0.4537                 0.2384
  Dep-U Fr= 1--      0.1825                 0.6242                 0.3851
 Alpha2 Fr= 1--      0.5022                 0.0119                 0.0081
 Beta2  Fr= 1--      0.8735                 0.2059                 0.0424
 AlphaG Fr= 1--      0.3928                -0.1478                -0.0228
 Gamma2 Fr= 1--      0.9623                -0.0985                -0.2263
 Delta2 Fr= 1--     -0.1950                 0.2680                -0.0267
 Raman1 Fr= 1--     114.861                  7.915                  2.642
 ROA1   Fr= 1--      86.141                 -0.877                -22.580
 CID1   Fr= 1--       0.750                 -0.111                 -8.547
 Raman2 Fr= 1--      10.482                  2.471                  0.509
 ROA2   Fr= 1--      24.655                 -4.508                 -5.218
 CID2   Fr= 1--       2.352                 -1.825                -10.260
 Raman3 Fr= 1--      20.965                  4.941                  1.017
 ROA3   Fr= 1--      86.141                 -0.877                -22.580
 CID3   Fr= 1--       4.109                 -0.177                -22.197
 RC180  Fr= 1--      -0.635                  0.248                 -0.230
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.03  -0.03     0.00   0.00  -0.05     0.01   0.00   0.09
     2   6    -0.08  -0.04  -0.01     0.00  -0.01   0.14    -0.01   0.00  -0.03
     3   6     0.16   0.08   0.01     0.01   0.01   0.00    -0.01   0.01  -0.17
     4   6     0.03  -0.03   0.02     0.00  -0.00   0.04     0.00  -0.00   0.07
     5   6     0.05  -0.01  -0.01     0.00  -0.00  -0.06     0.01  -0.01  -0.00
     6   6     0.03   0.01  -0.01    -0.00   0.00  -0.08     0.01   0.00   0.02
     7   6    -0.03  -0.01   0.02    -0.00  -0.00   0.02    -0.00  -0.00  -0.02
     8   1     0.31   0.03  -0.19     0.03   0.00   0.04     0.10  -0.01   0.90
     9   1     0.05  -0.00  -0.04     0.04  -0.01   0.45     0.01  -0.01  -0.02
    10   1     0.15  -0.02   0.06     0.03  -0.00   0.28    -0.01   0.01  -0.07
    11   6    -0.15   0.06  -0.10    -0.02   0.01  -0.00    -0.01   0.02   0.01
    12   6    -0.06   0.03  -0.03     0.00   0.00  -0.02     0.00  -0.00  -0.03
    13   6     0.04  -0.08   0.03     0.00  -0.01  -0.00    -0.00  -0.01  -0.01
    14   1    -0.23   0.06  -0.04    -0.03   0.01   0.02    -0.02   0.02   0.02
    15   1    -0.04   0.02   0.34     0.00  -0.01   0.04     0.01  -0.02   0.04
    16   1     0.27  -0.18  -0.34     0.05  -0.04  -0.07     0.06  -0.05  -0.09
    17   1     0.07  -0.00   0.20     0.01  -0.00   0.03     0.02  -0.01   0.02
    18   8     0.09  -0.02  -0.02     0.01  -0.00  -0.00     0.00   0.00  -0.00
    19   8    -0.06   0.03   0.09    -0.01   0.00   0.01    -0.01   0.00   0.01
    20   1    -0.03   0.04  -0.09    -0.01  -0.00  -0.00     0.01   0.03   0.01
    21   6    -0.05   0.03   0.03    -0.01   0.00  -0.02    -0.00  -0.00  -0.04
    22   6    -0.03   0.02  -0.04     0.00   0.00   0.09    -0.00   0.00   0.02
    23   6    -0.15  -0.08   0.06    -0.03  -0.00  -0.17    -0.02  -0.00   0.01
    24   8     0.07  -0.05   0.00     0.01  -0.00  -0.02     0.01  -0.01  -0.01
    25   6     0.03   0.03  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    26   1    -0.11   0.02  -0.08    -0.01  -0.00   0.04    -0.02  -0.00  -0.01
    27   1    -0.06   0.04  -0.11    -0.00   0.00  -0.00     0.03  -0.00   0.31
    28   1    -0.33  -0.02  -0.20     0.04  -0.02   0.79    -0.03   0.00   0.02
    29   1    -0.04  -0.01   0.00    -0.01   0.00  -0.00    -0.01  -0.00  -0.00
    30   1     0.05   0.15  -0.01     0.01   0.02   0.03     0.01   0.02   0.00
    31   1    -0.04  -0.01   0.01    -0.00  -0.01  -0.00    -0.00  -0.00   0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --    949.1285               963.4878               974.7275
 Red. masses --      4.2768                 1.3055                 1.3530
 Frc consts  --      2.2700                 0.7140                 0.7574
 IR Inten    --     25.2590                 0.2282                 0.4546
 RamAct Fr= 1--      0.5945                 1.3701                 1.2989
  Dep-P Fr= 1--      0.6865                 0.7339                 0.4013
  Dep-U Fr= 1--      0.8141                 0.8466                 0.5728
 Alpha2 Fr= 1--      0.0007                 0.0004                 0.0096
 Beta2  Fr= 1--      0.0807                 0.1933                 0.1240
 AlphaG Fr= 1--      0.0004                 0.0212                -0.1271
 Gamma2 Fr= 1--     -1.4708                 0.0341                -1.4170
 Delta2 Fr= 1--      0.5687                -0.1495                -0.1866
 Raman1 Fr= 1--       2.378                  5.480                  5.196
 ROA1   Fr= 1--    -123.001                 -1.515               -142.006
 CID1   Fr= 1--     -51.727                 -0.276                -27.331
 Raman2 Fr= 1--       0.968                  2.320                  1.488
 ROA2   Fr= 1--     -39.850                  2.013                -32.515
 CID2   Fr= 1--     -41.171                  0.868                -21.851
 Raman3 Fr= 1--       1.936                  4.640                  2.976
 ROA3   Fr= 1--    -123.001                 -1.515               -142.006
 CID3   Fr= 1--     -63.539                 -0.326                -47.715
 RC180  Fr= 1--       0.628                  0.693                  0.146
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.07   0.00     0.00  -0.00   0.02     0.00  -0.01  -0.01
     2   6     0.09  -0.06  -0.00     0.00  -0.00   0.01     0.00  -0.00  -0.02
     3   6     0.08  -0.18  -0.03     0.00  -0.00  -0.03     0.01   0.01   0.02
     4   6     0.13  -0.02   0.01     0.00  -0.00   0.01    -0.01  -0.00   0.01
     5   6    -0.17   0.24   0.03    -0.00   0.00  -0.01    -0.01   0.00  -0.12
     6   6    -0.04  -0.01  -0.01     0.00   0.00   0.01     0.01   0.01   0.11
     7   6    -0.03   0.06   0.01    -0.01   0.00  -0.12     0.00  -0.01   0.02
     8   1     0.11  -0.19   0.08     0.02  -0.01   0.15     0.01   0.01  -0.06
     9   1    -0.26   0.17  -0.03     0.00   0.00   0.09     0.04  -0.02   0.69
    10   1     0.22  -0.08   0.08    -0.00   0.00  -0.06    -0.07   0.03  -0.67
    11   6    -0.04  -0.01  -0.08    -0.00   0.00   0.00    -0.01  -0.00   0.01
    12   6    -0.07   0.02   0.02     0.00  -0.00  -0.01     0.01   0.00  -0.02
    13   6     0.01  -0.02  -0.00    -0.00  -0.00  -0.00     0.00   0.01  -0.00
    14   1    -0.13   0.00  -0.11    -0.01   0.00   0.01    -0.03  -0.00   0.05
    15   1    -0.08   0.09   0.31     0.00  -0.00   0.01     0.01  -0.02  -0.02
    16   1     0.13  -0.03  -0.13     0.01  -0.01  -0.02     0.01  -0.03  -0.03
    17   1     0.07   0.01   0.09     0.00  -0.00   0.01    -0.02  -0.00   0.03
    18   8     0.02  -0.01  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    19   8    -0.02   0.01   0.03    -0.00   0.00   0.00     0.00  -0.00  -0.00
    20   1    -0.02   0.01   0.03     0.00   0.00   0.00    -0.00  -0.00   0.00
    21   6    -0.12   0.16   0.00     0.01   0.00   0.10    -0.01   0.03  -0.01
    22   6     0.09  -0.04  -0.01     0.00  -0.00  -0.01     0.01  -0.00  -0.00
    23   6     0.17  -0.10  -0.02     0.00  -0.00  -0.00     0.01  -0.03   0.02
    24   8    -0.08   0.08   0.01    -0.00   0.00   0.01    -0.00   0.01   0.00
    25   6    -0.06  -0.06   0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.00
    26   1     0.16   0.01  -0.06     0.07  -0.02   0.73     0.03  -0.02  -0.09
    27   1    -0.24   0.04   0.09    -0.06   0.02  -0.64    -0.00   0.04   0.04
    28   1     0.32  -0.15  -0.01     0.01  -0.01  -0.01     0.02  -0.03  -0.07
    29   1     0.07   0.01   0.00     0.00   0.00   0.00     0.01  -0.00   0.00
    30   1    -0.08  -0.26   0.00    -0.00  -0.01  -0.00    -0.01  -0.02  -0.00
    31   1     0.07   0.01  -0.01     0.00  -0.00   0.00     0.01   0.00  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    982.3063              1012.6412              1061.8872
 Red. masses --      3.3120                 1.7481                 4.7693
 Frc consts  --      1.8829                 1.0561                 3.1686
 IR Inten    --      0.6264                 6.9001                53.3683
 RamAct Fr= 1--     16.1809                 4.3808                 3.6238
  Dep-P Fr= 1--      0.1174                 0.1646                 0.1816
  Dep-U Fr= 1--      0.2102                 0.2827                 0.3074
 Alpha2 Fr= 1--      0.2714                 0.0652                 0.0516
 Beta2  Fr= 1--      0.5668                 0.2064                 0.1857
 AlphaG Fr= 1--      0.0668                 0.0746                 0.0106
 Gamma2 Fr= 1--      1.0288                -0.8166                 0.1170
 Delta2 Fr= 1--      0.4679                -1.5483                 0.0610
 Raman1 Fr= 1--      64.724                 17.523                 14.495
 ROA1   Fr= 1--     113.739               -127.943                 13.185
 CID1   Fr= 1--       1.757                 -7.301                  0.910
 Raman2 Fr= 1--       6.802                  2.477                  2.228
 ROA2   Fr= 1--      20.948                 -7.213                  2.320
 CID2   Fr= 1--       3.080                 -2.912                  1.041
 Raman3 Fr= 1--      13.603                  4.954                  4.456
 ROA3   Fr= 1--     113.739               -127.943                 13.185
 CID3   Fr= 1--       8.361                -25.826                  2.959
 RC180  Fr= 1--      -0.580                 -0.435                 -0.385
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.03  -0.00     0.02   0.01  -0.00    -0.02   0.01   0.00
     2   6    -0.02  -0.02  -0.00     0.01  -0.02  -0.00    -0.04  -0.04   0.00
     3   6    -0.01  -0.16  -0.00     0.01  -0.03   0.01     0.02   0.04  -0.00
     4   6     0.08   0.01   0.00    -0.05  -0.06  -0.02     0.01  -0.01  -0.00
     5   6    -0.04   0.14  -0.03    -0.02   0.10   0.02     0.01  -0.02  -0.00
     6   6     0.01  -0.13   0.03     0.03   0.01  -0.01     0.00   0.03   0.00
     7   6    -0.00   0.12   0.00    -0.01   0.01   0.00    -0.08  -0.06   0.01
     8   1    -0.01  -0.17   0.00     0.12  -0.07  -0.05     0.06   0.03   0.00
     9   1     0.07   0.21   0.21     0.04   0.17  -0.08    -0.05  -0.08   0.00
    10   1     0.25  -0.21  -0.20     0.22  -0.04   0.01     0.04   0.02  -0.00
    11   6     0.00   0.00  -0.05    -0.06  -0.06   0.11     0.00  -0.01  -0.01
    12   6    -0.05  -0.00   0.03     0.08   0.03  -0.10    -0.01   0.01   0.00
    13   6    -0.00  -0.02  -0.00     0.02   0.06   0.02     0.00   0.00  -0.00
    14   1     0.06   0.00  -0.15    -0.39  -0.04   0.47    -0.02  -0.01   0.02
    15   1    -0.07   0.12   0.22     0.15  -0.31  -0.33     0.00  -0.02   0.02
    16   1     0.06   0.06  -0.00    -0.02  -0.24  -0.18     0.01  -0.02  -0.03
    17   1     0.10  -0.01  -0.06    -0.20   0.02   0.27    -0.01   0.01   0.05
    18   8     0.01   0.00  -0.00    -0.02  -0.01   0.00    -0.00  -0.00  -0.00
    19   8    -0.01   0.00   0.02     0.01  -0.01  -0.03    -0.00  -0.00   0.00
    20   1    -0.01   0.00   0.02     0.01  -0.01  -0.02    -0.00   0.00   0.00
    21   6     0.08  -0.22  -0.01     0.00  -0.02  -0.00     0.03  -0.12  -0.01
    22   6    -0.07   0.01   0.00    -0.01   0.00   0.00     0.18   0.11  -0.01
    23   6    -0.02   0.22   0.01    -0.01   0.02   0.00    -0.03   0.06   0.00
    24   8     0.03  -0.05  -0.00     0.00  -0.01  -0.00     0.10   0.30  -0.00
    25   6     0.04   0.05  -0.00     0.01   0.01  -0.00    -0.11  -0.33   0.00
    26   1    -0.36   0.23   0.03    -0.07   0.03   0.00    -0.33   0.01   0.03
    27   1    -0.03  -0.33  -0.01     0.00  -0.02   0.00    -0.20  -0.35   0.01
    28   1    -0.15   0.26   0.00    -0.05   0.03   0.01    -0.43   0.18   0.04
    29   1    -0.03   0.01  -0.00    -0.00   0.00  -0.00    -0.12  -0.25  -0.02
    30   1     0.05   0.15  -0.00     0.01   0.02  -0.00    -0.09  -0.16   0.00
    31   1    -0.03   0.01   0.01    -0.00   0.00   0.00    -0.11  -0.25   0.03
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1089.0324              1103.9385              1151.3295
 Red. masses --      1.7766                 2.5878                 1.4719
 Frc consts  --      1.2414                 1.8581                 1.1496
 IR Inten    --     15.3404                10.1019                13.3744
 RamAct Fr= 1--      3.9911                 9.7271                 2.1135
  Dep-P Fr= 1--      0.1571                 0.3367                 0.5510
  Dep-U Fr= 1--      0.2716                 0.5038                 0.7105
 Alpha2 Fr= 1--      0.0606                 0.0891                 0.0080
 Beta2  Fr= 1--      0.1806                 0.8168                 0.2503
 AlphaG Fr= 1--     -0.0886                 0.0500                 0.0077
 Gamma2 Fr= 1--      0.7482                -0.4331                 0.6991
 Delta2 Fr= 1--      0.1544                 1.1324                 1.8183
 Raman1 Fr= 1--      15.964                 38.908                  8.454
 ROA1   Fr= 1--      76.765                 -5.338                125.295
 CID1   Fr= 1--       4.809                 -0.137                 14.821
 Raman2 Fr= 1--       2.168                  9.801                  3.003
 ROA2   Fr= 1--      16.721                -19.452                  2.231
 CID2   Fr= 1--       7.714                 -1.985                  0.743
 Raman3 Fr= 1--       4.336                 19.602                  6.007
 ROA3   Fr= 1--      76.765                 -5.338                125.295
 CID3   Fr= 1--      17.706                 -0.272                 20.858
 RC180  Fr= 1--      -0.457                  0.008                  0.421
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.00     0.03   0.02  -0.00     0.00   0.08   0.00
     2   6    -0.01   0.01  -0.00    -0.00   0.00  -0.00     0.01   0.05  -0.00
     3   6     0.01   0.00   0.01     0.03  -0.05   0.00    -0.03  -0.06   0.00
     4   6     0.06   0.05  -0.05    -0.04  -0.01  -0.02    -0.02  -0.01  -0.00
     5   6     0.01  -0.05   0.01    -0.02   0.03   0.01     0.01   0.04   0.00
     6   6    -0.02  -0.02   0.00     0.00  -0.01  -0.00    -0.01  -0.06   0.00
     7   6     0.01   0.01  -0.00    -0.00  -0.02  -0.00    -0.05  -0.06   0.00
     8   1    -0.12   0.04  -0.05     0.24  -0.12  -0.06     0.10  -0.11  -0.02
     9   1    -0.04  -0.10  -0.03     0.04   0.09  -0.00     0.21   0.22  -0.01
    10   1    -0.12   0.01   0.00     0.08  -0.03  -0.01    -0.07  -0.04   0.00
    11   6     0.03  -0.01   0.13    -0.11   0.20   0.15     0.04  -0.01  -0.00
    12   6    -0.10  -0.02  -0.11     0.06  -0.15  -0.06    -0.02   0.01  -0.00
    13   6     0.00   0.06   0.07    -0.04  -0.08   0.11     0.00   0.01  -0.02
    14   1     0.27  -0.04   0.32    -0.09   0.20  -0.17     0.15  -0.02   0.04
    15   1    -0.09   0.07   0.49    -0.03   0.21  -0.14    -0.02   0.01   0.09
    16   1     0.37  -0.13  -0.45    -0.04   0.25   0.19     0.05  -0.01  -0.05
    17   1     0.29  -0.06   0.04     0.20  -0.12  -0.62     0.04  -0.00   0.03
    18   8    -0.04   0.01  -0.01     0.00   0.01   0.00    -0.00  -0.00  -0.00
    19   8     0.03  -0.01  -0.05     0.04   0.00  -0.07    -0.01   0.00   0.01
    20   1     0.03  -0.01  -0.06     0.07  -0.01  -0.27    -0.01   0.00   0.07
    21   6    -0.00  -0.00   0.00    -0.02   0.01   0.00     0.04   0.03  -0.00
    22   6     0.00  -0.00  -0.00     0.00   0.01  -0.00    -0.04  -0.00   0.00
    23   6     0.01   0.01  -0.00    -0.01  -0.02   0.00    -0.02  -0.07  -0.00
    24   8    -0.00  -0.00   0.00     0.01   0.02  -0.00     0.04   0.04  -0.00
    25   6    -0.00   0.00   0.00    -0.00  -0.02  -0.00     0.00  -0.04  -0.00
    26   1     0.04   0.00  -0.00    -0.05  -0.00   0.00    -0.41   0.05   0.04
    27   1    -0.05  -0.05   0.00     0.01   0.03   0.00     0.55   0.52  -0.03
    28   1     0.04  -0.00  -0.00    -0.01  -0.02   0.00     0.12  -0.11  -0.01
    29   1     0.00   0.00   0.00    -0.01  -0.01  -0.00    -0.04  -0.04  -0.01
    30   1    -0.00  -0.01   0.00    -0.00   0.00   0.00     0.02   0.09   0.00
    31   1     0.00   0.00  -0.00    -0.01  -0.01   0.00    -0.04  -0.04   0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1174.0385              1175.9684              1183.7967
 Red. masses --      1.2768                 2.2389                 1.3156
 Frc consts  --      1.0369                 1.8242                 1.0862
 IR Inten    --      0.8435                36.6029                 6.7018
 RamAct Fr= 1--      0.6360                37.0203                 2.3755
  Dep-P Fr= 1--      0.7499                 0.5006                 0.6321
  Dep-U Fr= 1--      0.8571                 0.6672                 0.7746
 Alpha2 Fr= 1--      0.0000                 0.1823                 0.0051
 Beta2  Fr= 1--      0.0908                 4.1165                 0.3067
 AlphaG Fr= 1--      0.0019                -0.0777                 0.0056
 Gamma2 Fr= 1--     -0.0166                -8.5094                -0.0150
 Delta2 Fr= 1--     -0.0065                -1.7834                 0.3047
 Raman1 Fr= 1--       2.544                148.081                  9.502
 ROA1   Fr= 1--      -1.803               -873.973                  8.312
 CID1   Fr= 1--      -0.709                 -5.902                  0.875
 Raman2 Fr= 1--       1.090                 49.398                  3.680
 ROA2   Fr= 1--      -0.346               -189.959                 -2.798
 CID2   Fr= 1--      -0.318                 -3.845                 -0.760
 Raman3 Fr= 1--       2.180                 98.796                  7.360
 ROA3   Fr= 1--      -1.803               -873.973                  8.312
 CID3   Fr= 1--      -0.827                 -8.846                  1.129
 RC180  Fr= 1--       0.714                  0.334                  0.549
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.04  -0.02  -0.00
     2   6    -0.00   0.00  -0.00     0.01  -0.01   0.00    -0.01   0.07   0.00
     3   6     0.00  -0.00  -0.00    -0.02   0.02  -0.01     0.01  -0.05  -0.00
     4   6    -0.00   0.00   0.00     0.07   0.00   0.02     0.01   0.02   0.01
     5   6    -0.00  -0.00   0.00    -0.00  -0.01  -0.01     0.06   0.03  -0.01
     6   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.06  -0.05   0.00
     7   6     0.00  -0.00   0.00    -0.02   0.01   0.00     0.02   0.00  -0.00
     8   1     0.00  -0.00  -0.00    -0.24   0.10   0.06    -0.06  -0.03   0.01
     9   1     0.00   0.00  -0.00    -0.11  -0.11   0.03     0.53   0.44  -0.03
    10   1     0.00  -0.00  -0.00     0.02  -0.01   0.00    -0.53   0.09   0.05
    11   6    -0.00   0.00   0.00    -0.00  -0.05  -0.10    -0.01  -0.02  -0.02
    12   6     0.00  -0.00  -0.00     0.00   0.07   0.02     0.01   0.02   0.01
    13   6     0.00   0.00  -0.00    -0.04  -0.04   0.25    -0.00  -0.00   0.03
    14   1     0.00  -0.00   0.00    -0.23  -0.02  -0.31    -0.06  -0.01  -0.03
    15   1    -0.00   0.00  -0.00     0.04  -0.10  -0.06     0.02  -0.04  -0.04
    16   1    -0.00   0.00   0.00    -0.05  -0.09  -0.04    -0.03  -0.03   0.00
    17   1     0.00  -0.00  -0.00    -0.14   0.06   0.21    -0.04   0.02   0.04
    18   8     0.00  -0.00   0.00    -0.06   0.03  -0.02    -0.00   0.00  -0.00
    19   8    -0.00   0.00   0.00     0.08  -0.02  -0.07     0.01  -0.00  -0.01
    20   1    -0.00  -0.00   0.00     0.16  -0.02  -0.65     0.02  -0.00  -0.07
    21   6     0.00  -0.00   0.00     0.02   0.00  -0.00    -0.03   0.01   0.00
    22   6    -0.00   0.00   0.00    -0.01  -0.00   0.00    -0.02  -0.02   0.00
    23   6     0.00   0.00   0.00     0.01  -0.01  -0.00    -0.04   0.00   0.00
    24   8    -0.01   0.00  -0.06     0.00   0.00  -0.00     0.02   0.02  -0.00
    25   6     0.01  -0.00   0.14    -0.00  -0.00   0.00     0.00  -0.03  -0.00
    26   1     0.00  -0.00  -0.00    -0.21   0.07   0.02     0.25  -0.07  -0.02
    27   1    -0.00  -0.00  -0.01     0.18   0.15  -0.01    -0.25  -0.19   0.02
    28   1    -0.00   0.00  -0.02     0.02  -0.01  -0.00     0.06  -0.03  -0.01
    29   1     0.17   0.62  -0.18     0.00   0.00  -0.00    -0.02  -0.02  -0.01
    30   1    -0.02   0.01  -0.28     0.00   0.01  -0.00     0.01   0.06   0.00
    31   1    -0.20  -0.62  -0.17     0.00   0.00   0.00    -0.02  -0.02   0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1192.3048              1205.0676              1224.6997
 Red. masses --      1.4867                 1.5172                 1.7611
 Frc consts  --      1.2452                 1.2982                 1.5563
 IR Inten    --     16.3939                37.9711                63.2354
 RamAct Fr= 1--      2.9978                57.6805                19.8842
  Dep-P Fr= 1--      0.6682                 0.1779                 0.1978
  Dep-U Fr= 1--      0.8011                 0.3021                 0.3303
 Alpha2 Fr= 1--      0.0044                 0.8301                 0.2716
 Beta2  Fr= 1--      0.4003                 2.9038                 1.0945
 AlphaG Fr= 1--      0.0024                -0.0162                -0.0245
 Gamma2 Fr= 1--      3.5879                 0.9474                -0.2249
 Delta2 Fr= 1--     -1.0112                 1.6507                -0.0616
 Raman1 Fr= 1--      11.991                230.722                 79.537
 ROA1   Fr= 1--     312.084                143.769                -23.564
 CID1   Fr= 1--      26.026                  0.623                 -0.296
 Raman2 Fr= 1--       4.803                 34.845                 13.134
 ROA2   Fr= 1--      94.200                  9.531                 -4.905
 CID2   Fr= 1--      19.612                  0.274                 -0.373
 Raman3 Fr= 1--       9.607                 69.690                 26.268
 ROA3   Fr= 1--     312.084                143.769                -23.564
 CID3   Fr= 1--      32.487                  2.063                 -0.897
 RC180  Fr= 1--       0.602                 -0.396                 -0.339
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.04   0.01    -0.03   0.04   0.00     0.03  -0.00  -0.00
     2   6    -0.08   0.05   0.01     0.02  -0.02  -0.00     0.12  -0.06  -0.01
     3   6     0.02  -0.01  -0.00    -0.01  -0.02  -0.00    -0.03  -0.00   0.00
     4   6    -0.06   0.01   0.01    -0.10  -0.03   0.01    -0.05  -0.04   0.00
     5   6    -0.03  -0.02   0.00    -0.01   0.02   0.00    -0.02   0.03   0.00
     6   6     0.05  -0.03  -0.00     0.00   0.03   0.00    -0.00   0.06   0.00
     7   6     0.04  -0.03  -0.00     0.00  -0.04  -0.00    -0.01   0.01   0.00
     8   1     0.41  -0.13  -0.03     0.49  -0.18  -0.04     0.11  -0.05  -0.01
     9   1    -0.01  -0.00   0.01     0.12   0.15  -0.00    -0.07  -0.00   0.01
    10   1     0.38  -0.14  -0.04    -0.06   0.05   0.01    -0.23   0.13   0.02
    11   6     0.03  -0.01  -0.03     0.07  -0.00  -0.03     0.04   0.01  -0.00
    12   6    -0.01   0.03   0.01    -0.02   0.03   0.01    -0.02   0.01  -0.00
    13   6    -0.00   0.01   0.04    -0.01   0.00   0.05    -0.00  -0.00   0.02
    14   1     0.20  -0.03  -0.04     0.31  -0.02  -0.08     0.13   0.00  -0.05
    15   1     0.01  -0.03   0.01    -0.01  -0.02   0.05    -0.01   0.01   0.04
    16   1     0.01  -0.03  -0.03     0.04  -0.03  -0.06     0.04   0.00  -0.03
    17   1    -0.02   0.02   0.08     0.02   0.02   0.09     0.03   0.00   0.02
    18   8    -0.02   0.01  -0.00    -0.02   0.01  -0.01    -0.01   0.00  -0.00
    19   8     0.01  -0.01  -0.01     0.02  -0.01  -0.01     0.01  -0.00  -0.01
    20   1     0.03  -0.01  -0.12     0.03  -0.01  -0.12     0.01  -0.00  -0.02
    21   6    -0.03  -0.02   0.00     0.01  -0.01  -0.00     0.00  -0.00  -0.00
    22   6    -0.05   0.02   0.00     0.08   0.02  -0.01     0.02   0.00  -0.00
    23   6     0.02  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.03  -0.00
    24   8     0.01   0.03   0.00    -0.01  -0.05  -0.00    -0.11   0.01   0.01
    25   6     0.04  -0.04  -0.00    -0.06   0.06   0.01     0.13  -0.01  -0.01
    26   1     0.42  -0.15  -0.04     0.10  -0.08  -0.01    -0.01   0.01   0.00
    27   1    -0.10  -0.09   0.01    -0.02  -0.05   0.00    -0.05  -0.05   0.00
    28   1     0.39  -0.12  -0.04    -0.40   0.13   0.04    -0.41   0.09   0.04
    29   1    -0.14  -0.08  -0.02     0.19   0.11   0.04    -0.35  -0.17  -0.05
    30   1     0.07   0.29   0.00    -0.11  -0.43  -0.00     0.18   0.55  -0.00
    31   1    -0.13  -0.08   0.04     0.19   0.11  -0.07    -0.34  -0.17   0.10
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1268.2530              1283.2225              1299.5873
 Red. masses --      3.6075                 1.5270                 1.6895
 Frc consts  --      3.4187                 1.4815                 1.6812
 IR Inten    --     92.4369                32.8616                56.7176
 RamAct Fr= 1--     11.2410                 5.5530                 4.2471
  Dep-P Fr= 1--      0.2785                 0.6932                 0.7495
  Dep-U Fr= 1--      0.4357                 0.8188                 0.8568
 Alpha2 Fr= 1--      0.1228                 0.0055                 0.0000
 Beta2  Fr= 1--      0.8163                 0.7578                 0.6065
 AlphaG Fr= 1--      0.0328                 0.0130                -0.0009
 Gamma2 Fr= 1--      0.2096                -4.1271                10.9970
 Delta2 Fr= 1--     -0.1876                -0.4160                -0.1162
 Raman1 Fr= 1--      44.964                 22.212                 16.988
 ROA1   Fr= 1--      14.121               -409.508               1051.997
 CID1   Fr= 1--       0.314                -18.436                 61.925
 Raman2 Fr= 1--       9.796                  9.094                  7.278
 ROA2   Fr= 1--       6.531                -95.722                264.858
 CID2   Fr= 1--       0.667                -10.526                 36.392
 Raman3 Fr= 1--      19.592                 18.188                 14.556
 ROA3   Fr= 1--      14.121               -409.508               1051.997
 CID3   Fr= 1--       0.721                -22.516                 72.274
 RC180  Fr= 1--      -0.129                  0.638                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.24  -0.08  -0.02     0.03  -0.06  -0.00    -0.00   0.10   0.00
     2   6     0.09  -0.02  -0.01    -0.02  -0.03   0.00     0.10   0.08  -0.01
     3   6    -0.07   0.01   0.01     0.03  -0.04  -0.01    -0.04  -0.03   0.00
     4   6    -0.19  -0.14   0.01    -0.00   0.07   0.01     0.06   0.02  -0.00
     5   6    -0.02   0.01   0.00     0.01  -0.02  -0.00    -0.02   0.02   0.00
     6   6     0.00   0.07   0.00    -0.00   0.01  -0.00     0.02  -0.06  -0.00
     7   6     0.01   0.07   0.00     0.01   0.02   0.00    -0.01  -0.02   0.00
     8   1    -0.30   0.07   0.02     0.13  -0.08   0.00    -0.17   0.01   0.02
     9   1    -0.03   0.01   0.01    -0.06  -0.07  -0.00    -0.20  -0.14   0.01
    10   1     0.44  -0.06  -0.04    -0.16   0.06   0.02     0.08  -0.08  -0.01
    11   6     0.10   0.03  -0.00    -0.14  -0.01  -0.05    -0.03   0.00  -0.04
    12   6    -0.03   0.01   0.00     0.05  -0.00   0.02     0.01  -0.03   0.01
    13   6    -0.01   0.00   0.00     0.03   0.05  -0.03     0.01   0.02  -0.04
    14   1     0.45   0.00  -0.09     0.65  -0.09   0.36    -0.02  -0.01   0.35
    15   1    -0.02   0.00   0.07     0.03   0.01  -0.13    -0.02   0.07   0.00
    16   1     0.09   0.01  -0.07    -0.10  -0.02   0.09    -0.03   0.05   0.08
    17   1     0.08   0.00   0.04    -0.13   0.01  -0.03    -0.02  -0.02  -0.06
    18   8    -0.02   0.01  -0.00    -0.02  -0.00   0.01    -0.02   0.00   0.01
    19   8     0.01  -0.00   0.01     0.01  -0.01   0.04     0.01  -0.01   0.04
    20   1     0.04   0.00  -0.17     0.07  -0.00  -0.40     0.06   0.01  -0.35
    21   6    -0.03   0.06   0.00    -0.00   0.01   0.00    -0.02  -0.01   0.00
    22   6    -0.15  -0.11   0.01     0.00   0.02  -0.00    -0.04  -0.07   0.00
    23   6    -0.11   0.04   0.01     0.01  -0.00  -0.00    -0.05  -0.02   0.00
    24   8     0.12   0.05  -0.01    -0.01  -0.01   0.00     0.04   0.02  -0.00
    25   6    -0.04  -0.05   0.00     0.00   0.00  -0.00    -0.01  -0.02   0.00
    26   1    -0.06   0.11   0.01    -0.30   0.12   0.03     0.52  -0.19  -0.05
    27   1    -0.27  -0.14   0.02    -0.03  -0.02   0.00     0.09   0.10  -0.01
    28   1     0.22  -0.06  -0.02     0.11  -0.03  -0.01    -0.48   0.11   0.04
    29   1     0.13   0.07  -0.01    -0.01  -0.00  -0.00     0.03   0.02  -0.01
    30   1    -0.03   0.01   0.00     0.00   0.01  -0.00    -0.01  -0.02   0.00
    31   1     0.13   0.07  -0.01    -0.01  -0.00   0.00     0.03   0.02   0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1300.7338              1310.2521              1340.6064
 Red. masses --      2.1450                 1.6817                 1.7868
 Frc consts  --      2.1382                 1.7011                 1.8921
 IR Inten    --    108.0492               120.2947               119.6299
 RamAct Fr= 1--      1.9000                 5.3821                 4.9340
  Dep-P Fr= 1--      0.6079                 0.6957                 0.6985
  Dep-U Fr= 1--      0.7561                 0.8205                 0.8225
 Alpha2 Fr= 1--      0.0050                 0.0051                 0.0044
 Beta2  Fr= 1--      0.2394                 0.7360                 0.6763
 AlphaG Fr= 1--     -0.0007                -0.0228                 0.0028
 Gamma2 Fr= 1--      3.2136                -6.8243                -0.8263
 Delta2 Fr= 1--     -0.4102                -0.4274                 1.1092
 Raman1 Fr= 1--       7.600                 21.528                 19.736
 ROA1   Fr= 1--     295.379               -668.806                -43.826
 CID1   Fr= 1--      38.867                -31.066                 -2.221
 Raman2 Fr= 1--       2.873                  8.832                  8.116
 ROA2   Fr= 1--      80.408               -160.363                -28.704
 CID2   Fr= 1--      27.986                -18.156                 -3.537
 Raman3 Fr= 1--       5.746                 17.665                 16.232
 ROA3   Fr= 1--     295.379               -668.806                -43.826
 CID3   Fr= 1--      51.404                -37.861                 -2.700
 RC180  Fr= 1--       0.512                  0.641                  0.645
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.08   0.01     0.05   0.03  -0.00     0.01  -0.01  -0.00
     2   6     0.07  -0.12  -0.01     0.04   0.06  -0.00     0.00  -0.01   0.00
     3   6     0.01   0.05   0.00    -0.01  -0.06  -0.00    -0.01   0.02  -0.00
     4   6     0.03   0.02  -0.00     0.02   0.07   0.00    -0.01  -0.03   0.02
     5   6     0.02   0.03  -0.00    -0.01  -0.01  -0.00     0.00   0.00  -0.00
     6   6    -0.00   0.03   0.00     0.02  -0.04  -0.00    -0.01   0.01   0.00
     7   6    -0.04   0.09   0.00     0.01  -0.01  -0.00    -0.00   0.00   0.00
     8   1     0.56  -0.12  -0.05    -0.11  -0.04   0.01     0.02   0.01   0.04
     9   1    -0.20  -0.16   0.01    -0.16  -0.15   0.01     0.03   0.03   0.01
    10   1    -0.47   0.18   0.05     0.06  -0.05  -0.00     0.04  -0.00  -0.00
    11   6    -0.02  -0.01   0.02    -0.11  -0.02   0.03     0.02   0.03  -0.17
    12   6     0.01   0.01  -0.01     0.04   0.05  -0.01    -0.02  -0.06   0.05
    13   6    -0.00  -0.01   0.01    -0.00   0.01   0.09     0.00   0.02   0.15
    14   1    -0.06   0.00  -0.11     0.44  -0.06  -0.39    -0.07   0.02   0.77
    15   1     0.01  -0.01  -0.00     0.07  -0.10  -0.11    -0.07   0.15  -0.04
    16   1    -0.01  -0.02  -0.01    -0.07  -0.12  -0.04     0.03   0.11   0.09
    17   1    -0.02   0.01   0.02    -0.14   0.05   0.11     0.03  -0.04  -0.18
    18   8     0.01  -0.00  -0.00     0.04  -0.02  -0.02     0.02  -0.01  -0.03
    19   8    -0.01   0.00  -0.02    -0.02   0.01  -0.08    -0.01   0.00  -0.08
    20   1    -0.03   0.00   0.14    -0.12  -0.01   0.62    -0.08   0.01   0.48
    21   6     0.01  -0.02  -0.00    -0.02   0.01   0.00     0.00   0.00  -0.00
    22   6    -0.14  -0.10   0.01    -0.01  -0.01   0.00    -0.00  -0.00   0.00
    23   6    -0.00   0.07   0.00    -0.03  -0.03   0.00    -0.00   0.01   0.00
    24   8     0.09   0.04  -0.01     0.01   0.01  -0.00     0.00   0.00  -0.00
    25   6    -0.03  -0.04   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1     0.25   0.00  -0.02     0.06  -0.03  -0.00    -0.01   0.00   0.00
    27   1     0.24   0.20  -0.02    -0.04  -0.01   0.00    -0.01  -0.01   0.00
    28   1     0.07   0.04  -0.01    -0.20   0.02   0.02     0.05  -0.01  -0.00
    29   1     0.10   0.06  -0.02     0.01   0.00  -0.00     0.00  -0.00   0.00
    30   1    -0.01   0.06   0.00    -0.00  -0.02   0.00    -0.00   0.01   0.00
    31   1     0.10   0.06   0.00     0.01   0.00  -0.00     0.00  -0.00  -0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1382.2804              1409.2473              1417.2823
 Red. masses --      1.8367                 4.9484                 1.3618
 Frc consts  --      2.0677                 5.7901                 1.6117
 IR Inten    --      7.9560                 3.9000                11.6619
 RamAct Fr= 1--     17.4603               714.7975                54.8087
  Dep-P Fr= 1--      0.2553                 0.2295                 0.1715
  Dep-U Fr= 1--      0.4068                 0.3733                 0.2928
 Alpha2 Fr= 1--      0.2039                 8.9665                 0.8019
 Beta2  Fr= 1--      1.1838                44.4724                 2.6747
 AlphaG Fr= 1--      0.1516                -2.0010                -0.1124
 Gamma2 Fr= 1--      2.0626                -8.7300                -0.0967
 Delta2 Fr= 1--     -0.3638                 1.7735                 0.3565
 Raman1 Fr= 1--      69.841               2859.190                219.235
 ROA1   Fr= 1--     186.373               -781.327                  2.123
 CID1   Fr= 1--       2.669                 -0.273                  0.010
 Raman2 Fr= 1--      14.205                533.668                 32.097
 ROA2   Fr= 1--      52.414               -223.707                 -5.174
 CID2   Fr= 1--       3.690                 -0.419                 -0.161
 Raman3 Fr= 1--      28.410               1067.336                 64.194
 ROA3   Fr= 1--     186.373               -781.327                  2.123
 CID3   Fr= 1--       6.560                 -0.732                  0.033
 RC180  Fr= 1--      -0.186                 -0.253                 -0.414
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.07  -0.00     0.09   0.28  -0.00    -0.00  -0.05  -0.00
     2   6     0.07   0.00  -0.01    -0.08  -0.28   0.00     0.01   0.05   0.00
     3   6    -0.09  -0.04   0.01    -0.16   0.06   0.02    -0.01   0.01   0.00
     4   6    -0.01   0.08   0.00     0.12  -0.18  -0.01    -0.00   0.01  -0.00
     5   6     0.01   0.04   0.00     0.17   0.10  -0.01     0.01  -0.01  -0.00
     6   6     0.06  -0.05  -0.01    -0.19   0.04   0.02    -0.01  -0.01   0.00
     7   6     0.06  -0.07  -0.01     0.03  -0.06  -0.00    -0.04   0.00   0.00
     8   1     0.24  -0.15  -0.02    -0.12   0.06   0.01     0.13  -0.03  -0.01
     9   1    -0.36  -0.30   0.02    -0.01  -0.08  -0.01     0.02   0.00  -0.01
    10   1    -0.33   0.07   0.03    -0.04  -0.02   0.01     0.11  -0.05  -0.01
    11   6     0.05  -0.02  -0.01    -0.08   0.01   0.01     0.00   0.00  -0.00
    12   6    -0.00  -0.01  -0.01     0.04  -0.01  -0.05     0.05  -0.04  -0.11
    13   6    -0.00  -0.01  -0.01     0.00   0.01   0.01    -0.01   0.00   0.01
    14   1    -0.31   0.02   0.04     0.40  -0.03  -0.04    -0.03   0.01   0.03
    15   1    -0.01   0.04   0.07     0.01   0.12   0.21     0.00   0.20   0.54
    16   1    -0.01   0.06   0.04    -0.20   0.04   0.12    -0.40   0.26   0.33
    17   1     0.01  -0.02   0.06    -0.19  -0.00   0.16    -0.23  -0.05   0.45
    18   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.01  -0.00  -0.00
    19   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.01
    20   1     0.01   0.00  -0.02    -0.00   0.01   0.01    -0.00  -0.00   0.02
    21   6     0.02   0.03  -0.00    -0.05  -0.05   0.00     0.03   0.03  -0.00
    22   6    -0.05   0.12   0.01    -0.00   0.07   0.00     0.04  -0.05  -0.00
    23   6    -0.07  -0.06   0.00     0.07   0.02  -0.01    -0.03   0.02   0.00
    24   8     0.02  -0.02  -0.00    -0.01  -0.01   0.00    -0.01   0.00   0.00
    25   6    -0.02  -0.00   0.00    -0.01   0.00   0.00     0.01   0.01  -0.00
    26   1    -0.27   0.03   0.02     0.35  -0.16  -0.03    -0.03  -0.00   0.00
    27   1    -0.33  -0.31   0.02     0.01   0.01  -0.00    -0.01  -0.01   0.00
    28   1     0.25  -0.17  -0.03     0.34  -0.06  -0.03     0.01   0.01  -0.00
    29   1     0.08   0.03   0.01     0.03   0.01   0.00    -0.04  -0.03   0.01
    30   1    -0.02   0.01   0.00    -0.00   0.03   0.00     0.01  -0.03  -0.00
    31   1     0.07   0.03  -0.03     0.02   0.01  -0.01    -0.04  -0.03  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1425.7671              1457.1558              1476.5356
 Red. masses --      2.9438                 3.4638                 1.2342
 Frc consts  --      3.5258                 4.3332                 1.5854
 IR Inten    --     72.5546                12.1027                 6.9391
 RamAct Fr= 1--     57.9212               133.3572                13.0383
  Dep-P Fr= 1--      0.1871                 0.2583                 0.5954
  Dep-U Fr= 1--      0.3152                 0.4106                 0.7464
 Alpha2 Fr= 1--      0.8138                 1.5439                 0.0374
 Beta2  Fr= 1--      3.0429                 9.1260                 1.6220
 AlphaG Fr= 1--      0.0143                 0.4405                -0.0185
 Gamma2 Fr= 1--     -0.5095                -1.1907                -2.0899
 Delta2 Fr= 1--     -3.9194                 0.9914                -0.5490
 Raman1 Fr= 1--     231.685                533.429                 52.153
 ROA1   Fr= 1--    -174.335                -82.582               -218.196
 CID1   Fr= 1--      -0.752                 -0.155                 -4.184
 Raman2 Fr= 1--      36.515                109.512                 19.464
 ROA2   Fr= 1--      19.126                -36.508                -45.766
 CID2   Fr= 1--       0.524                 -0.333                 -2.351
 Raman3 Fr= 1--      73.031                219.025                 38.929
 ROA3   Fr= 1--    -174.335                -82.582               -218.196
 CID3   Fr= 1--      -2.387                 -0.377                 -5.605
 RC180  Fr= 1--      -0.370                 -0.179                  0.493
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.06  -0.00     0.17   0.00  -0.01    -0.02  -0.00   0.00
     2   6     0.03   0.08  -0.00    -0.17  -0.01   0.01     0.00   0.02   0.00
     3   6    -0.11   0.06   0.01    -0.10  -0.06   0.01    -0.02   0.01   0.00
     4   6     0.08  -0.02  -0.01    -0.06   0.18   0.01     0.03   0.01  -0.00
     5   6     0.12   0.05  -0.01     0.11  -0.04  -0.01     0.01  -0.02  -0.00
     6   6    -0.12  -0.06   0.01    -0.08  -0.01   0.01    -0.04   0.01   0.00
     7   6    -0.13  -0.03   0.01     0.12   0.03  -0.01     0.01  -0.03  -0.00
     8   1     0.44  -0.11  -0.04     0.34  -0.21  -0.03     0.09  -0.02  -0.01
     9   1    -0.14  -0.21   0.01    -0.09  -0.24   0.00     0.08   0.04  -0.01
    10   1     0.24  -0.18  -0.02     0.12  -0.09  -0.01     0.14  -0.05  -0.01
    11   6    -0.03  -0.01   0.01     0.06  -0.04  -0.01    -0.01  -0.00   0.00
    12   6    -0.02   0.02   0.06    -0.01   0.00   0.01     0.00   0.00   0.00
    13   6     0.01  -0.00  -0.01    -0.00  -0.00  -0.01     0.00  -0.00  -0.00
    14   1    -0.01  -0.01  -0.02    -0.39   0.01   0.03    -0.02  -0.00   0.00
    15   1    -0.01  -0.07  -0.29     0.00  -0.06  -0.02     0.01  -0.01   0.03
    16   1     0.21  -0.16  -0.18     0.03   0.05   0.01    -0.03  -0.06  -0.01
    17   1     0.07   0.03  -0.26     0.09  -0.01   0.02    -0.02   0.01  -0.05
    18   8    -0.01   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    19   8    -0.00  -0.00   0.01     0.00  -0.00   0.00    -0.00  -0.00   0.00
    20   1     0.01   0.01  -0.04     0.01   0.01  -0.01    -0.00   0.00   0.00
    21   6     0.13   0.09  -0.01    -0.15   0.02   0.01     0.04   0.04  -0.00
    22   6     0.13  -0.11  -0.01     0.01  -0.15  -0.00     0.01  -0.02  -0.00
    23   6    -0.13   0.08   0.01     0.13   0.03  -0.01     0.03  -0.01  -0.00
    24   8    -0.05  -0.01   0.00    -0.00   0.04   0.00    -0.03  -0.02   0.00
    25   6     0.03   0.03  -0.00     0.03  -0.00  -0.00    -0.04  -0.09   0.00
    26   1     0.03  -0.10  -0.01    -0.14   0.13   0.01    -0.12   0.01   0.01
    27   1    -0.09  -0.13   0.00     0.07   0.25   0.00    -0.10  -0.09   0.01
    28   1     0.28  -0.03  -0.02    -0.38   0.20   0.04    -0.15   0.05   0.01
    29   1    -0.13  -0.13   0.04    -0.14   0.03  -0.06     0.28   0.40  -0.18
    30   1     0.01  -0.12  -0.00     0.02  -0.12  -0.00     0.03   0.57   0.01
    31   1    -0.14  -0.13  -0.02    -0.13   0.02   0.09     0.31   0.39   0.14
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1492.1591              1493.3446              1497.8078
 Red. masses --      1.0516                 1.0460                 1.0545
 Frc consts  --      1.3795                 1.3744                 1.3938
 IR Inten    --      8.6376                 8.7664                 7.7006
 RamAct Fr= 1--      4.4974                 8.5221                 5.1065
  Dep-P Fr= 1--      0.7392                 0.7500                 0.6449
  Dep-U Fr= 1--      0.8500                 0.8571                 0.7841
 Alpha2 Fr= 1--      0.0008                 0.0000                 0.0097
 Beta2  Fr= 1--      0.6372                 1.2174                 0.6674
 AlphaG Fr= 1--      0.0015                 0.0021                 0.0724
 Gamma2 Fr= 1--      2.9901                -0.0021                 2.2908
 Delta2 Fr= 1--     -0.0501                 0.0468                 1.9109
 Raman1 Fr= 1--      17.990                 34.088                 20.426
 ROA1   Fr= 1--     285.446                  1.295                281.065
 CID1   Fr= 1--      15.867                  0.038                 13.760
 Raman2 Fr= 1--       7.646                 14.609                  8.008
 ROA2   Fr= 1--      72.163                 -0.425                 39.691
 CID2   Fr= 1--       9.438                 -0.029                  4.956
 Raman3 Fr= 1--      15.292                 29.218                 16.017
 ROA3   Fr= 1--     285.446                  1.295                281.065
 CID3   Fr= 1--      18.666                  0.044                 17.548
 RC180  Fr= 1--       0.700                  0.714                  0.568
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.01   0.01   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.01  -0.00   0.00
     5   6     0.01   0.01  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6     0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.01  -0.00   0.00     0.00  -0.00   0.00    -0.01  -0.00   0.00
     8   1    -0.02   0.01   0.00     0.00   0.00  -0.00    -0.01   0.00   0.00
     9   1    -0.02  -0.01  -0.00     0.00   0.00  -0.00    -0.02  -0.02   0.01
    10   1    -0.03   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    11   6    -0.02  -0.01   0.01    -0.00  -0.00   0.00    -0.03   0.01  -0.02
    12   6    -0.02  -0.04  -0.01    -0.00  -0.00  -0.00    -0.04   0.02  -0.02
    13   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   1     0.04  -0.02  -0.06     0.00  -0.00  -0.00     0.04   0.00   0.04
    15   1    -0.10   0.26  -0.43    -0.00   0.00  -0.00     0.13  -0.61  -0.02
    16   1     0.46   0.52  -0.00     0.00   0.00  -0.00    -0.17   0.28   0.22
    17   1     0.02  -0.06   0.49    -0.00  -0.00   0.00     0.65  -0.05   0.14
    18   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.01  -0.00   0.00
    19   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    21   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.01  -0.00  -0.00
    22   6     0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.00  -0.00
    23   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01   0.00   0.00
    24   8    -0.01  -0.00   0.00    -0.00   0.00  -0.01    -0.00  -0.00   0.00
    25   6    -0.00  -0.01   0.00    -0.01   0.00  -0.06    -0.00  -0.00   0.00
    26   1     0.01  -0.01  -0.00    -0.00   0.00  -0.00     0.02  -0.01  -0.00
    27   1     0.01   0.01  -0.00    -0.00  -0.00  -0.00     0.01  -0.00  -0.00
    28   1     0.00   0.00   0.00    -0.00   0.00  -0.03     0.02  -0.01  -0.00
    29   1     0.02   0.05  -0.02     0.48   0.11   0.03     0.02   0.00   0.00
    30   1     0.00   0.06  -0.00     0.06  -0.01   0.72     0.00   0.03   0.00
    31   1     0.03   0.05   0.02    -0.46  -0.11   0.11     0.02   0.00  -0.01
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1506.2828              1525.5170              1546.3047
 Red. masses --      1.0645                 2.3856                 3.4774
 Frc consts  --      1.4230                 3.2710                 4.8989
 IR Inten    --     35.7912                47.3994                33.5843
 RamAct Fr= 1--      1.1928               132.6342                 1.3675
  Dep-P Fr= 1--      0.7494                 0.2368                 0.6758
  Dep-U Fr= 1--      0.8567                 0.3829                 0.8065
 Alpha2 Fr= 1--      0.0000                 1.6307                 0.0018
 Beta2  Fr= 1--      0.1703                 8.4648                 0.1838
 AlphaG Fr= 1--     -0.0004                -0.1462                 0.0210
 Gamma2 Fr= 1--     -0.3080                -2.6516                -0.5727
 Delta2 Fr= 1--     -0.1349                 1.3217                 0.0569
 Raman1 Fr= 1--       4.771                530.537                  5.470
 ROA1   Fr= 1--     -33.886               -212.259                -53.158
 CID1   Fr= 1--      -7.102                 -0.400                 -9.718
 Raman2 Fr= 1--       2.044                101.577                  2.206
 ROA2   Fr= 1--      -6.313                -74.212                -14.200
 CID2   Fr= 1--      -3.089                 -0.731                 -6.438
 Raman3 Fr= 1--       4.088                203.155                  4.412
 ROA3   Fr= 1--     -33.886               -212.259                -53.158
 CID3   Fr= 1--      -8.290                 -1.045                -12.049
 RC180  Fr= 1--       0.713                 -0.234                  0.613
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01   0.00     0.09  -0.02  -0.01     0.13  -0.04  -0.01
     2   6     0.00  -0.00  -0.00    -0.10   0.03   0.01     0.14  -0.06  -0.01
     3   6     0.01   0.01  -0.00     0.06  -0.04  -0.01    -0.06  -0.05   0.00
     4   6     0.00  -0.02  -0.00    -0.12  -0.01   0.01     0.03   0.18   0.00
     5   6    -0.00   0.01   0.00     0.06   0.09  -0.00    -0.05  -0.15   0.00
     6   6     0.02  -0.01  -0.00     0.10  -0.07  -0.01    -0.12   0.11   0.01
     7   6     0.00  -0.01  -0.00    -0.11   0.06   0.01    -0.12   0.10   0.01
     8   1    -0.03   0.02   0.00    -0.20   0.03   0.02     0.18  -0.13  -0.02
     9   1    -0.02  -0.00   0.00    -0.34  -0.26   0.02     0.33   0.18  -0.03
    10   1    -0.04   0.01   0.00    -0.36   0.06   0.03     0.40  -0.05  -0.03
    11   6    -0.00   0.00  -0.00     0.04   0.01  -0.01     0.01  -0.03   0.00
    12   6    -0.00   0.00  -0.00     0.01   0.00   0.00    -0.00  -0.00   0.00
    13   6    -0.00   0.00   0.00    -0.00  -0.00   0.01    -0.00  -0.00  -0.01
    14   1     0.03   0.00   0.00     0.00   0.01   0.01    -0.19  -0.00   0.00
    15   1     0.01  -0.02   0.01     0.01   0.01   0.09    -0.01   0.02  -0.04
    16   1    -0.01  -0.00   0.01    -0.06  -0.09  -0.01     0.04   0.03  -0.01
    17   1     0.02  -0.00  -0.01    -0.04   0.01  -0.08    -0.01  -0.00   0.04
    18   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    19   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    20   1    -0.00  -0.00   0.00     0.00  -0.00  -0.01     0.00   0.01  -0.00
    21   6     0.01   0.01  -0.00    -0.04  -0.08   0.00    -0.03  -0.15  -0.00
    22   6    -0.01   0.00   0.00     0.15   0.02  -0.01     0.04   0.19   0.00
    23   6    -0.01   0.00   0.00    -0.06   0.04   0.01    -0.08  -0.05   0.01
    24   8     0.02  -0.01  -0.00    -0.05  -0.02   0.00    -0.00  -0.03  -0.00
    25   6     0.04  -0.03  -0.00    -0.02  -0.03   0.00    -0.01  -0.01   0.00
    26   1    -0.02  -0.00   0.00     0.35  -0.08  -0.03     0.40  -0.06  -0.03
    27   1    -0.03  -0.03   0.00     0.28   0.21  -0.02     0.27   0.12  -0.02
    28   1     0.04  -0.01  -0.00     0.22  -0.04  -0.02     0.24  -0.15  -0.02
    29   1    -0.39   0.40  -0.34     0.13   0.18  -0.08    -0.03   0.13  -0.08
    30   1    -0.01  -0.37  -0.01     0.01   0.26   0.01    -0.02  -0.04   0.00
    31   1    -0.32   0.39   0.42     0.14   0.18   0.07    -0.01   0.12   0.09
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1617.0717              1653.5329              1672.9576
 Red. masses --      7.0756                 5.6241                 6.1891
 Frc consts  --     10.9012                 9.0601                10.2057
 IR Inten    --      3.6891               116.7881                58.2518
 RamAct Fr= 1--     40.0015                 9.2337               239.4681
  Dep-P Fr= 1--      0.1834                 0.3681                 0.4231
  Dep-U Fr= 1--      0.3100                 0.5382                 0.5946
 Alpha2 Fr= 1--      0.5675                 0.0764                 1.6299
 Beta2  Fr= 1--      2.0665                 0.8282                23.7318
 AlphaG Fr= 1--     -0.5226                -0.0887                -0.6353
 Gamma2 Fr= 1--      0.7367                -0.3634                 0.8837
 Delta2 Fr= 1--      0.5047                 2.2067                -3.4823
 Raman1 Fr= 1--     160.006                 36.935                957.872
 ROA1   Fr= 1--      86.873                 35.731                -26.594
 CID1   Fr= 1--       0.543                  0.967                 -0.028
 Raman2 Fr= 1--      24.798                  9.938                284.781
 ROA2   Fr= 1--      13.643                -26.375                 49.068
 CID2   Fr= 1--       0.550                 -2.654                  0.172
 Raman3 Fr= 1--      49.595                 19.877                569.563
 ROA3   Fr= 1--      86.873                 35.731                -26.594
 CID3   Fr= 1--       1.752                  1.798                 -0.047
 RC180  Fr= 1--      -0.380                  0.076                  0.189
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.29  -0.00    -0.02  -0.01   0.00    -0.25   0.04   0.02
     2   6     0.04   0.29   0.00    -0.01  -0.01   0.00     0.24  -0.04  -0.02
     3   6    -0.12   0.16   0.01     0.21  -0.11  -0.02     0.22  -0.08  -0.02
     4   6     0.06  -0.22  -0.01    -0.20   0.10   0.02    -0.15   0.06   0.01
     5   6     0.16   0.16  -0.01     0.21   0.06  -0.02     0.18   0.06  -0.01
     6   6    -0.12  -0.10   0.01    -0.21  -0.00   0.02    -0.24   0.03   0.02
     7   6     0.11   0.11  -0.01    -0.23  -0.00   0.02     0.25  -0.03  -0.02
     8   1     0.32   0.03  -0.02    -0.31   0.04   0.03    -0.31   0.08   0.03
     9   1    -0.18  -0.16   0.01    -0.17  -0.31   0.01    -0.11  -0.23   0.00
    10   1     0.12  -0.19  -0.01     0.16  -0.13  -0.02     0.27  -0.14  -0.03
    11   6    -0.02   0.02   0.00     0.04  -0.01  -0.01     0.02  -0.01  -0.00
    12   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   6     0.00  -0.00   0.00    -0.01   0.00   0.01    -0.00   0.00   0.00
    14   1     0.15  -0.00  -0.00    -0.09   0.00   0.01    -0.05  -0.00   0.01
    15   1     0.00  -0.01   0.01     0.00   0.01   0.02     0.00   0.01   0.01
    16   1    -0.01  -0.00   0.00    -0.01  -0.01   0.00    -0.01  -0.00   0.00
    17   1     0.02  -0.00  -0.01    -0.01   0.00  -0.00    -0.01   0.00   0.00
    18   8    -0.00   0.00  -0.00     0.01  -0.00  -0.00     0.00  -0.00  -0.00
    19   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    20   1    -0.00   0.00   0.01     0.01  -0.00  -0.02     0.01  -0.01  -0.03
    21   6    -0.17  -0.19   0.01     0.23   0.06  -0.02    -0.19  -0.05   0.01
    22   6    -0.08   0.27   0.01    -0.20   0.10   0.02     0.13  -0.06  -0.01
    23   6     0.12  -0.18  -0.01     0.20  -0.10  -0.02    -0.20   0.07   0.02
    24   8     0.03  -0.01  -0.00     0.03  -0.01  -0.00    -0.01   0.01   0.00
    25   6    -0.01  -0.00   0.00     0.00   0.02  -0.00    -0.00  -0.01   0.00
    26   1    -0.06   0.18   0.01     0.19  -0.15  -0.02    -0.29   0.15   0.03
    27   1     0.17   0.15  -0.01    -0.14  -0.32   0.00     0.07   0.21  -0.00
    28   1    -0.35  -0.05   0.03    -0.31   0.04   0.03     0.30  -0.08  -0.03
    29   1     0.01   0.01   0.00    -0.04  -0.06   0.03     0.02   0.05  -0.03
    30   1    -0.02  -0.06   0.00    -0.00  -0.10  -0.00    -0.00   0.05   0.00
    31   1     0.01   0.01  -0.00    -0.05  -0.06  -0.03     0.02   0.04   0.03
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1838.0684              3011.2361              3015.4759
 Red. masses --     10.3678                 1.0345                 1.0817
 Frc consts  --     20.6376                 5.5267                 5.7951
 IR Inten    --    424.6515                47.0488                 9.3205
 RamAct Fr= 1--     33.0902               231.3409                72.5004
  Dep-P Fr= 1--      0.3088                 0.0646                 0.1322
  Dep-U Fr= 1--      0.4719                 0.1214                 0.2335
 Alpha2 Fr= 1--      0.3305                 4.4127                 1.1722
 Beta2  Fr= 1--      2.6027                 4.6815                 2.8218
 AlphaG Fr= 1--     -1.1541                 0.2808                 0.2360
 Gamma2 Fr= 1--     -5.5571                 0.7478                -0.6650
 Delta2 Fr= 1--     -0.4509                -0.6181                -0.1554
 Raman1 Fr= 1--     132.361                925.364                290.001
 ROA1   Fr= 1--    -547.908                 52.010                -68.819
 CID1   Fr= 1--      -4.139                  0.056                 -0.237
 Raman2 Fr= 1--      31.233                 56.178                 33.861
 ROA2   Fr= 1--    -129.762                 22.893                -14.718
 CID2   Fr= 1--      -4.155                  0.408                 -0.435
 Raman3 Fr= 1--      62.466                112.356                 67.723
 ROA3   Fr= 1--    -547.908                 52.010                -68.819
 CID3   Fr= 1--      -8.771                  0.463                 -1.016
 RC180  Fr= 1--      -0.056                 -0.757                 -0.533
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.01  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   6    -0.02   0.01  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   6     0.01  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     6   6    -0.01   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     7   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     8   1    -0.01   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.02   0.00
     9   1     0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   1     0.01  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   6    -0.04   0.02  -0.01    -0.00  -0.00  -0.00    -0.01  -0.08  -0.00
    12   6     0.01  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.01  -0.00
    13   6     0.68  -0.29   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    14   1    -0.03   0.00  -0.06     0.00   0.01   0.00     0.10   0.99   0.02
    15   1     0.03  -0.03   0.05     0.00   0.00   0.00    -0.02  -0.00  -0.00
    16   1    -0.08   0.04   0.08    -0.00   0.00  -0.00     0.02  -0.01   0.02
    17   1     0.02  -0.02   0.04    -0.00  -0.00  -0.00    -0.01  -0.08  -0.00
    18   8    -0.43   0.18   0.01    -0.00   0.00  -0.00    -0.00   0.00   0.00
    19   8    -0.04   0.02  -0.03     0.00  -0.00  -0.00    -0.00   0.00   0.00
    20   1    -0.06  -0.01   0.45    -0.00   0.00   0.00    -0.00  -0.00   0.00
    21   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    22   6    -0.01   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    24   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    25   6    -0.00  -0.00   0.00     0.01  -0.05  -0.00    -0.00   0.00   0.00
    26   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    27   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    28   1    -0.00  -0.00   0.00    -0.01  -0.02   0.00     0.00   0.00  -0.00
    29   1    -0.00   0.00  -0.00    -0.15   0.31   0.58     0.00  -0.00  -0.01
    30   1    -0.00  -0.00   0.00     0.29  -0.03  -0.03    -0.00   0.00   0.00
    31   1    -0.00   0.00   0.00    -0.24   0.33  -0.53     0.00  -0.00   0.01
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3053.2206              3067.8399              3117.2994
 Red. masses --      1.0350                 1.1058                 1.1025
 Frc consts  --      5.6846                 6.1318                 6.3125
 IR Inten    --     16.5389                32.8522                15.5769
 RamAct Fr= 1--    199.5881                57.3251                34.4050
  Dep-P Fr= 1--      0.0281                 0.7500                 0.7438
  Dep-U Fr= 1--      0.0546                 0.8571                 0.8531
 Alpha2 Fr= 1--      4.1529                 0.0000                 0.0036
 Beta2  Fr= 1--      1.8153                 8.1890                 4.8918
 AlphaG Fr= 1--     -0.3195                 0.0517                 0.0075
 Gamma2 Fr= 1--      1.0628                 1.4979                -3.0649
 Delta2 Fr= 1--      3.5808                 1.2981                 1.4373
 Raman1 Fr= 1--     798.352                229.300                137.620
 ROA1   Fr= 1--     216.617                185.336               -248.242
 CID1   Fr= 1--       0.271                  0.808                 -1.804
 Raman2 Fr= 1--      21.784                 98.268                 58.701
 ROA2   Fr= 1--      -3.139                 25.564                -85.057
 CID2   Fr= 1--      -0.144                  0.260                 -1.449
 Raman3 Fr= 1--      43.567                196.537                117.403
 ROA3   Fr= 1--     216.617                185.336               -248.242
 CID3   Fr= 1--       4.972                  0.943                 -2.114
 RC180  Fr= 1--      -0.891                  0.714                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     8   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01   0.00
     9   1     0.01  -0.01  -0.00     0.00  -0.00  -0.00     0.03  -0.03  -0.00
    10   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.01   0.00
    11   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.01   0.00
    12   6     0.01  -0.02  -0.05     0.00  -0.00  -0.00     0.02  -0.08   0.04
    13   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   1     0.00   0.02  -0.00     0.00   0.00   0.00     0.01   0.08   0.00
    15   1    -0.46  -0.12   0.01    -0.00  -0.00   0.00     0.01  -0.02   0.01
    16   1     0.31  -0.27   0.50     0.00  -0.00   0.00    -0.32   0.26  -0.52
    17   1     0.05   0.59   0.03     0.00   0.00   0.00     0.06   0.73   0.06
    18   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    19   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   1     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    21   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    22   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    23   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    24   8     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    25   6     0.00  -0.00   0.00    -0.01   0.00  -0.09    -0.00   0.00   0.00
    26   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    27   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    28   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    29   1    -0.00   0.00   0.00    -0.17   0.34   0.59     0.00  -0.00  -0.00
    30   1     0.00  -0.00  -0.00    -0.00   0.00  -0.02     0.00  -0.00  -0.00
    31   1    -0.00   0.00  -0.00     0.27  -0.36   0.54    -0.00   0.00  -0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3132.0637              3140.1022              3153.6382
 Red. masses --      1.1020                 1.0993                 1.0896
 Frc consts  --      6.3692                 6.3865                 6.3847
 IR Inten    --     16.6919                23.1130                10.5902
 RamAct Fr= 1--    165.7235               179.3189                64.0195
  Dep-P Fr= 1--      0.4915                 0.4063                 0.2623
  Dep-U Fr= 1--      0.6591                 0.5778                 0.4156
 Alpha2 Fr= 1--      0.8510                 1.2986                 0.7329
 Beta2  Fr= 1--     18.2040                17.2689                 4.4342
 AlphaG Fr= 1--      0.1893                -0.1242                 0.0744
 Gamma2 Fr= 1--      0.3110                -0.6917                 0.7960
 Delta2 Fr= 1--     -6.0041                -0.4925                -0.6594
 Raman1 Fr= 1--     662.894                717.276                256.078
 ROA1   Fr= 1--    -162.270                -82.163                 55.320
 CID1   Fr= 1--      -0.245                 -0.115                  0.216
 Raman2 Fr= 1--     218.448                207.227                 53.210
 ROA2   Fr= 1--      55.498                -12.661                 24.380
 CID2   Fr= 1--       0.254                 -0.061                  0.458
 Raman3 Fr= 1--     436.896                414.455                106.420
 ROA3   Fr= 1--    -162.270                -82.163                 55.320
 CID3   Fr= 1--      -0.371                 -0.198                  0.520
 RC180  Fr= 1--       0.318                  0.156                 -0.169
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     3   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.02  -0.08   0.00
     4   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.01  -0.00
     8   1    -0.00  -0.01   0.00     0.00   0.00  -0.00     0.30   0.95  -0.01
     9   1     0.01  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   1     0.00   0.01  -0.00    -0.00  -0.00   0.00     0.01   0.04  -0.00
    11   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    12   6    -0.08  -0.03  -0.02     0.00   0.00   0.00    -0.00  -0.00   0.00
    13   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    14   1     0.00   0.03   0.00    -0.00  -0.00  -0.00     0.01   0.02   0.00
    15   1     0.85   0.21  -0.03    -0.00  -0.00   0.00     0.01   0.00  -0.00
    16   1     0.16  -0.16   0.27    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    17   1     0.01   0.31   0.01    -0.00  -0.00  -0.00     0.00   0.01   0.00
    18   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    19   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    20   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    21   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    22   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    24   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    25   6    -0.00   0.00   0.00    -0.09   0.02   0.01     0.00  -0.00  -0.00
    26   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.03  -0.08   0.00
    27   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.01   0.01   0.00
    28   1     0.00   0.00  -0.00     0.01   0.03  -0.00    -0.00   0.00   0.00
    29   1     0.00  -0.00  -0.00     0.03  -0.08  -0.17    -0.00   0.00   0.00
    30   1     0.00  -0.00  -0.00     0.95  -0.10  -0.08    -0.00   0.00   0.00
    31   1     0.00  -0.00   0.00     0.06  -0.09   0.16    -0.00   0.00  -0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3166.0386              3172.5900              3183.4623
 Red. masses --      1.0864                 1.0883                 1.0946
 Frc consts  --      6.4164                 6.4537                 6.5358
 IR Inten    --      3.8297                 7.9899                 9.7452
 RamAct Fr= 1--     53.3706                84.5346               140.6478
  Dep-P Fr= 1--      0.7311                 0.5191                 0.1549
  Dep-U Fr= 1--      0.8447                 0.6835                 0.2683
 Alpha2 Fr= 1--      0.0172                 0.3806                 2.1471
 Beta2  Fr= 1--      7.5136                 9.6294                 6.2895
 AlphaG Fr= 1--      0.0302                -0.0355                -0.3764
 Gamma2 Fr= 1--      0.2478                -1.1835                 1.4759
 Delta2 Fr= 1--     -1.4594                 0.4051                 3.4080
 Raman1 Fr= 1--     213.482                338.138                562.591
 ROA1   Fr= 1--     -22.912               -100.649                250.748
 CID1   Fr= 1--      -0.107                 -0.298                  0.446
 Raman2 Fr= 1--      90.164                115.552                 75.474
 ROA2   Fr= 1--      17.623                -31.644                  8.158
 CID2   Fr= 1--       0.195                 -0.274                  0.108
 Raman3 Fr= 1--     180.327                231.105                150.948
 ROA3   Fr= 1--     -22.912               -100.649                250.748
 CID3   Fr= 1--      -0.127                 -0.436                  1.661
 RC180  Fr= 1--       0.689                  0.367                 -0.463
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     2   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.01   0.00     0.00   0.00   0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     5   6    -0.03   0.04   0.00     0.00  -0.00  -0.00     0.05  -0.05  -0.00
     6   6    -0.02  -0.06   0.00    -0.00   0.00   0.00    -0.02  -0.05   0.00
     7   6    -0.00  -0.00   0.00    -0.02  -0.08   0.00    -0.00   0.00   0.00
     8   1    -0.01  -0.03   0.00     0.03   0.08  -0.00    -0.01  -0.03   0.00
     9   1     0.41  -0.45  -0.04    -0.01   0.02   0.00    -0.53   0.58   0.05
    10   1     0.23   0.75  -0.01    -0.00  -0.01   0.00     0.18   0.58  -0.00
    11   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    12   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   1     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1    -0.01  -0.00   0.00     0.00   0.00  -0.00     0.01   0.00   0.00
    16   1     0.00  -0.00   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.01
    17   1    -0.00  -0.03  -0.00     0.00   0.00   0.00     0.00   0.03   0.00
    18   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   8    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    20   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    21   6    -0.00   0.00   0.00    -0.02   0.02   0.00     0.00  -0.00  -0.00
    22   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    24   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    25   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    26   1     0.01   0.02  -0.00     0.28   0.90  -0.00    -0.00  -0.00  -0.00
    27   1     0.01  -0.01  -0.00     0.21  -0.23  -0.02    -0.01   0.01   0.00
    28   1    -0.01  -0.03  -0.00     0.01   0.02  -0.00    -0.01  -0.04  -0.00
    29   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    30   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3199.8583              3206.0767              3707.8465
 Red. masses --      1.0937                 1.0893                 1.0652
 Frc consts  --      6.5981                 6.5969                 8.6286
 IR Inten    --      5.2887                 8.4050               132.4937
 RamAct Fr= 1--    208.7030                82.5535               193.5984
  Dep-P Fr= 1--      0.2149                 0.2489                 0.2310
  Dep-U Fr= 1--      0.3537                 0.3986                 0.3753
 Alpha2 Fr= 1--      2.7240                 0.9814                 2.4184
 Beta2  Fr= 1--     12.3033                 5.4844                12.1101
 AlphaG Fr= 1--     -0.1869                 0.0293                -4.2832
 Gamma2 Fr= 1--     -1.5320                 0.2200               -42.3224
 Delta2 Fr= 1--     -0.7606                -0.0938                -3.5215
 Raman1 Fr= 1--     834.812                330.214                774.393
 ROA1   Fr= 1--    -171.409                 18.125              -4175.640
 CID1   Fr= 1--      -0.205                  0.055                 -5.392
 Raman2 Fr= 1--     147.640                 65.813                145.321
 ROA2   Fr= 1--     -30.683                  6.031               -987.565
 CID2   Fr= 1--      -0.208                  0.092                 -6.796
 Raman3 Fr= 1--     295.280                131.625                290.643
 ROA3   Fr= 1--    -171.409                 18.125              -4175.640
 CID3   Fr= 1--      -0.580                  0.138                -14.367
 RC180  Fr= 1--      -0.293                 -0.203                 -0.249
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     7   6    -0.01  -0.03   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     8   1     0.00   0.01  -0.00    -0.00  -0.01   0.00     0.00  -0.00  -0.00
     9   1     0.00  -0.00  -0.00    -0.01   0.01   0.00    -0.00   0.00   0.00
    10   1    -0.00  -0.00   0.00     0.01   0.05  -0.00     0.00   0.00   0.00
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    13   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    14   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    15   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    16   1    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    17   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    18   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    19   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.06   0.02  -0.01
    20   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.94  -0.32   0.12
    21   6     0.06  -0.06  -0.01     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    22   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    23   6    -0.00   0.00   0.00    -0.02  -0.08   0.00     0.00  -0.00  -0.00
    24   8    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    25   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    26   1     0.09   0.29  -0.00    -0.01  -0.02   0.00    -0.00  -0.00  -0.00
    27   1    -0.65   0.68   0.07    -0.01   0.01   0.00     0.00  -0.00  -0.00
    28   1    -0.00  -0.01  -0.00     0.29   0.95  -0.00     0.00   0.00  -0.00
    29   1     0.00   0.00   0.00    -0.01   0.01   0.02    -0.00   0.00   0.00
    30   1     0.00  -0.00  -0.00    -0.02   0.00   0.00     0.00  -0.00  -0.00
    31   1     0.00   0.00  -0.00    -0.01   0.01  -0.02    -0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  8 and mass  15.99491
 Atom    19 has atomic number  8 and mass  15.99491
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  8 and mass  15.99491
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Molecular mass:   230.09429 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1299.412138870.282849172.11716
           X            0.99989   0.00987  -0.01143
           Y           -0.00975   0.99990   0.01032
           Z            0.01153  -0.01020   0.99988
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06666     0.00976     0.00944
 Rotational constants (GHZ):           1.38889     0.20346     0.19676
 Zero-point vibrational energy     658088.0 (Joules/Mol)
                                  157.28681 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     41.14    58.99    65.48   138.36   183.39
          (Kelvin)            200.12   270.18   301.59   306.82   316.68
                              347.02   409.61   433.12   550.71   576.29
                              594.82   653.13   702.38   716.93   753.01
                              767.25   778.67   835.77   867.34   923.41
                              981.87   999.95  1077.16  1124.44  1138.66
                             1171.81  1191.25  1200.75  1248.85  1271.29
                             1316.63  1365.58  1386.24  1402.42  1413.32
                             1456.96  1527.82  1566.87  1588.32  1656.51
                             1689.18  1691.96  1703.22  1715.46  1733.82
                             1762.07  1824.73  1846.27  1869.82  1871.47
                             1885.16  1928.83  1988.79  2027.59  2039.15
                             2051.36  2096.52  2124.41  2146.88  2148.59
                             2155.01  2167.20  2194.88  2224.79  2326.61
                             2379.07  2407.01  2644.57  4332.50  4338.60
                             4392.90  4413.94  4485.10  4506.34  4517.91
                             4537.38  4555.22  4564.65  4580.29  4603.88
                             4612.83  5334.76
 
 Zero-point correction=                           0.250652 (Hartree/Particle)
 Thermal correction to Energy=                    0.265855
 Thermal correction to Enthalpy=                  0.266799
 Thermal correction to Gibbs Free Energy=         0.207181
 Sum of electronic and zero-point Energies=           -767.722802
 Sum of electronic and thermal Energies=              -767.707600
 Sum of electronic and thermal Enthalpies=            -767.706655
 Sum of electronic and thermal Free Energies=         -767.766273
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  166.827             58.664            125.477
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.202
 Rotational               0.889              2.981             33.025
 Vibrational            165.049             52.702             50.250
 Vibration     1          0.593              1.984              5.925
 Vibration     2          0.594              1.981              5.210
 Vibration     3          0.595              1.979              5.004
 Vibration     4          0.603              1.952              3.531
 Vibration     5          0.611              1.926              2.984
 Vibration     6          0.615              1.914              2.816
 Vibration     7          0.632              1.857              2.250
 Vibration     8          0.642              1.826              2.047
 Vibration     9          0.644              1.821              2.016
 Vibration    10          0.647              1.810              1.958
 Vibration    11          0.658              1.777              1.794
 Vibration    12          0.683              1.702              1.505
 Vibration    13          0.693              1.672              1.411
 Vibration    14          0.752              1.507              1.028
 Vibration    15          0.766              1.469              0.961
 Vibration    16          0.777              1.441              0.915
 Vibration    17          0.812              1.352              0.784
 Vibration    18          0.844              1.276              0.688
 Vibration    19          0.854              1.254              0.662
 Vibration    20          0.878              1.198              0.602
 Vibration    21          0.888              1.176              0.580
 Vibration    22          0.896              1.159              0.563
 Vibration    23          0.938              1.073              0.484
 Vibration    24          0.961              1.026              0.445
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.504987D-95        -95.296720       -219.428806
 Total V=0       0.989286D+20         19.995322         46.040930
 Vib (Bot)       0.100010-109       -109.999955       -253.284256
 Vib (Bot)    1  0.724191D+01          0.859853          1.979884
 Vib (Bot)    2  0.504641D+01          0.702983          1.618677
 Vib (Bot)    3  0.454439D+01          0.657475          1.513893
 Vib (Bot)    4  0.213572D+01          0.329544          0.758803
 Vib (Bot)    5  0.160045D+01          0.204242          0.470286
 Vib (Bot)    6  0.146229D+01          0.165033          0.380003
 Vib (Bot)    7  0.106666D+01          0.028028          0.064537
 Vib (Bot)    8  0.947684D+00         -0.023336         -0.053734
 Vib (Bot)    9  0.930160D+00         -0.031443         -0.072399
 Vib (Bot)   10  0.898644D+00         -0.046412         -0.106868
 Vib (Bot)   11  0.812528D+00         -0.090162         -0.207605
 Vib (Bot)   12  0.673654D+00         -0.171563         -0.395038
 Vib (Bot)   13  0.631378D+00         -0.199710         -0.459850
 Vib (Bot)   14  0.471456D+00         -0.326559         -0.751930
 Vib (Bot)   15  0.444813D+00         -0.351822         -0.810101
 Vib (Bot)   16  0.426848D+00         -0.369727         -0.851327
 Vib (Bot)   17  0.376552D+00         -0.424174         -0.976698
 Vib (Bot)   18  0.340180D+00         -0.468292         -1.078281
 Vib (Bot)   19  0.330333D+00         -0.481048         -1.107653
 Vib (Bot)   20  0.307459D+00         -0.512213         -1.179415
 Vib (Bot)   21  0.298990D+00         -0.524343         -1.207345
 Vib (Bot)   22  0.292414D+00         -0.534002         -1.229584
 Vib (Bot)   23  0.262091D+00         -0.581548         -1.339063
 Vib (Bot)   24  0.246975D+00         -0.607347         -1.398468
 Vib (V=0)       0.195924D+06          5.292087         12.185480
 Vib (V=0)    1  0.775915D+01          0.889814          2.048872
 Vib (V=0)    2  0.557112D+01          0.745943          1.717596
 Vib (V=0)    3  0.507181D+01          0.705163          1.623698
 Vib (V=0)    4  0.269347D+01          0.430312          0.990829
 Vib (V=0)    5  0.217674D+01          0.337806          0.777827
 Vib (V=0)    6  0.204541D+01          0.310780          0.715598
 Vib (V=0)    7  0.167804D+01          0.224802          0.517625
 Vib (V=0)    8  0.157150D+01          0.196314          0.452029
 Vib (V=0)    9  0.155603D+01          0.192018          0.442137
 Vib (V=0)   10  0.152838D+01          0.184231          0.424207
 Vib (V=0)   11  0.145404D+01          0.162578          0.374349
 Vib (V=0)   12  0.133893D+01          0.126759          0.291874
 Vib (V=0)   13  0.130538D+01          0.115737          0.266495
 Vib (V=0)   14  0.118722D+01          0.074531          0.171614
 Vib (V=0)   15  0.116922D+01          0.067897          0.156339
 Vib (V=0)   16  0.115742D+01          0.063491          0.146192
 Vib (V=0)   17  0.112593D+01          0.051512          0.118612
 Vib (V=0)   18  0.110475D+01          0.043264          0.099619
 Vib (V=0)   19  0.109927D+01          0.041103          0.094643
 Vib (V=0)   20  0.108697D+01          0.036217          0.083392
 Vib (V=0)   21  0.108258D+01          0.034458          0.079344
 Vib (V=0)   22  0.107923D+01          0.033114          0.076247
 Vib (V=0)   23  0.106453D+01          0.027157          0.062531
 Vib (V=0)   24  0.105767D+01          0.024351          0.056069
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.137187D+09          8.137313         18.736855
 Rotational      0.368063D+07          6.565923         15.118595
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3           3333333333333                              111111111111111111111111111111111                                        
     7           2211111110000                              866655544444444333332222111111000999998888877766665555444443322222111    
     0           0087654316511                              3751420999752108410086209877508618764186321984984084329851080842118329442
     8           6033640278351                              8347666832776792101038552464149232539548584129522311338843131510308976619
 
     X           XXXXXXXXXXXXX                              XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXX
     X                    X  X                              XXX XXX     X   XXXXXXXX  X    X      X           X                      
     X                                                      XXX         X   XXXX XX        X                  X                      
     X                                                      X X             XXX  X                                                   
     X                                                      X X             XXX                                                      
     X                                                      X X             XX                                                       
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 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000337   -0.000000230    0.000000335
      2        6           0.000000126   -0.000000829   -0.000000408
      3        6          -0.000000338   -0.000002850   -0.000001340
      4        6          -0.000000405    0.000006186   -0.000001624
      5        6          -0.000000071   -0.000002378    0.000000403
      6        6           0.000000532   -0.000000032    0.000000343
      7        6          -0.000000966   -0.000000368   -0.000000839
      8        1          -0.000000105    0.000000407    0.000000498
      9        1           0.000000512    0.000000551   -0.000000024
     10        1           0.000000641    0.000001043    0.000000213
     11        6          -0.000002964   -0.000002527    0.000008114
     12        6          -0.000003050   -0.000001811   -0.000002639
     13        6           0.000006032    0.000002259   -0.000013425
     14        1           0.000001803    0.000000799    0.000000386
     15        1           0.000000234    0.000000900   -0.000000225
     16        1           0.000000817    0.000000267    0.000000771
     17        1           0.000001580   -0.000000032    0.000001236
     18        8          -0.000005136    0.000001087    0.000002887
     19        8          -0.000002103   -0.000000020    0.000009654
     20        1           0.000000498   -0.000000705   -0.000001911
     21        6           0.000000649   -0.000000930   -0.000000294
     22        6          -0.000000400    0.000000203    0.000000251
     23        6           0.000001767    0.000001201   -0.000000243
     24        8           0.000000428    0.000001491   -0.000000973
     25        6          -0.000001154   -0.000004218    0.000000231
     26        1          -0.000000035   -0.000000636    0.000000030
     27        1           0.000000034   -0.000000484   -0.000000252
     28        1           0.000001276    0.000000577   -0.000000102
     29        1          -0.000000129    0.000000253   -0.000000163
     30        1          -0.000000263    0.000000199   -0.000000333
     31        1          -0.000000145    0.000000627   -0.000000556
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000013425 RMS     0.000002467
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.312355D+03 -0.866454D+01 -0.132781D+02
      2  -0.866454D+01  0.176957D+03  0.210646D+01
      3  -0.132781D+02  0.210646D+01  0.125057D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.343207D+01 -0.254221D+02  0.381018D+01
      2   0.479913D+02  0.803739D+00  0.348474D+02
      3   0.845576D+02  0.703114D+02 -0.276667D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.291290D+03 -0.933324D+02  0.439288D+02
      2   0.914007D+02  0.713510D+02  0.469235D+01
      3   0.199889D+03  0.219814D+02 -0.486212D+02
      4  -0.904878D+02 -0.176733D+03 -0.779047D+00
      5  -0.314139D+02 -0.287809D+01  0.824475D+02
      6  -0.358146D+01 -0.461956D+02 -0.140068D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.346578D+02 -0.192517D+01 -0.203903D+01  0.479152D+02 -0.759552D+01
      2  -0.192517D+01 -0.376013D+00  0.320621D+00 -0.759552D+01  0.890785D+01
      3  -0.203903D+01  0.320621D+00 -0.863272D-01 -0.363394D+01  0.763259D+00
                 6             7             8             9            10 
      1  -0.363394D+01 -0.138462D+01 -0.270499D-01  0.120805D+01 -0.386408D+02
      2   0.763259D+00 -0.270499D-01  0.149879D+00  0.139747D+01  0.275601D+01
      3  -0.324559D+00  0.120805D+01  0.139747D+01 -0.886251D-01  0.234203D+01
                11            12            13            14            15 
      1   0.275601D+01  0.234203D+01 -0.480759D+02  0.689234D+01  0.373195D+01
      2  -0.413835D+01 -0.231238D+00  0.689234D+01 -0.718800D+01 -0.814470D+00
      3  -0.231238D+00  0.306313D+00  0.373195D+01 -0.814470D+00  0.339990D+00
                16            17            18            19            20 
      1   0.206066D+01 -0.162894D+00 -0.119198D+01 -0.446570D+02  0.499580D+01
      2  -0.162894D+00  0.288354D+00 -0.123363D+01  0.499580D+01 -0.410994D+01
      3  -0.119198D+01 -0.123363D+01 -0.272492D-01  0.200261D+01 -0.283807D+00
                21            22            23            24            25 
      1   0.200261D+01  0.200547D+02 -0.227083D+01 -0.199093D+00  0.453630D+01
      2  -0.283807D+00 -0.227083D+01  0.265242D+01  0.276433D+00  0.152804D+00
      3  -0.504186D+00 -0.199093D+00  0.276433D+00  0.229246D+01  0.153997D+01
                26            27            28            29            30 
      1   0.152804D+00  0.153997D+01  0.513811D+02 -0.272696D+01 -0.132413D+01
      2   0.156259D+00  0.362890D+01 -0.272696D+01  0.379460D+01  0.236864D+00
      3   0.362890D+01 -0.182615D-01 -0.132413D+01  0.236864D+00  0.229554D+01
                31            32            33            34            35 
      1  -0.603115D+01  0.139315D+01  0.290638D+00 -0.703877D+00  0.142516D+00
      2   0.139315D+01 -0.670533D+01 -0.647221D+00  0.142516D+00 -0.908264D+00
      3   0.290638D+00 -0.647221D+00 -0.580391D+00  0.659970D+01 -0.554375D+00
                36            37            38            39            40 
      1   0.659970D+01  0.744837D+01 -0.668533D+00 -0.377209D+00 -0.925214D+01
      2  -0.554375D+00 -0.668533D+00  0.824177D+01  0.365210D+00  0.106530D+01
      3  -0.863019D+00 -0.377209D+00  0.365210D+00  0.200136D+01 -0.123229D+00
                41            42            43            44            45 
      1   0.106530D+01 -0.123229D+00 -0.115634D+01 -0.173965D+00  0.412068D+01
      2   0.302494D+01  0.175651D+00 -0.173965D+00 -0.623388D+00 -0.246087D+01
      3   0.175651D+00 -0.106970D+01  0.412068D+01 -0.246087D+01 -0.124623D+01
                46            47            48            49            50 
      1  -0.100604D+02  0.137578D+01  0.105132D+01 -0.200080D+01  0.168859D+01
      2   0.137578D+01 -0.520304D+01 -0.934391D+00  0.168859D+01 -0.229449D+00
      3   0.105132D+01 -0.934391D+00 -0.167513D+01  0.130445D+00 -0.377280D-01
                51            52            53            54            55 
      1   0.130445D+00  0.611484D+00 -0.457857D+00 -0.937299D+00  0.122792D+02
      2  -0.377280D-01 -0.457857D+00  0.604918D+00 -0.389256D+01 -0.386179D+01
      3  -0.143424D+01 -0.937299D+00 -0.389256D+01 -0.189050D+00 -0.935840D+00
                56            57            58            59            60 
      1  -0.386179D+01 -0.935840D+00  0.213860D+00 -0.155505D+01  0.137790D+00
      2   0.991795D+01  0.686305D+00 -0.155505D+01 -0.332846D+00 -0.109720D-01
      3   0.686305D+00  0.190561D+01  0.137790D+00 -0.109720D-01  0.162857D+01
                61            62            63            64            65 
      1  -0.102186D+01  0.611814D+00  0.844929D+00  0.105812D+01  0.219357D+01
      2   0.611814D+00 -0.106872D+01  0.397207D+01  0.219357D+01  0.160648D+01
      3   0.844929D+00  0.397207D+01 -0.197872D+00 -0.768371D-01 -0.160280D+00
                66            67            68            69            70 
      1  -0.768371D-01  0.262782D+01  0.305904D+01 -0.141143D+00 -0.287485D+00
      2  -0.160280D+00  0.305904D+01  0.774311D+01 -0.260015D+00 -0.155763D+00
      3   0.197626D+00 -0.141143D+00 -0.260015D+00  0.885186D+00 -0.125107D+00
                71            72            73            74            75 
      1  -0.155763D+00 -0.125107D+00  0.624027D+01 -0.295001D+01 -0.650584D+00
      2  -0.604149D-01  0.171148D+00 -0.295001D+01  0.274150D+01  0.273202D+00
      3   0.171148D+00 -0.651301D-01 -0.650584D+00  0.273202D+00  0.614560D+00
                76            77            78            79            80 
      1  -0.409756D+01  0.409012D+01  0.455231D+00 -0.796505D+00  0.245661D+00
      2   0.409012D+01 -0.502238D+01 -0.462182D+00  0.245661D+00 -0.234776D+00
      3   0.455231D+00 -0.462182D+00 -0.790371D+00 -0.275530D+00 -0.258675D+00
                81            82            83            84            85 
      1  -0.275530D+00 -0.101210D+01 -0.151204D+01  0.359370D-01 -0.823936D+00
      2  -0.258675D+00 -0.151204D+01 -0.219497D+01  0.491021D-01 -0.140715D+01
      3   0.532738D-02  0.359370D-01  0.491021D-01 -0.181641D+00 -0.729142D-01
                86            87            88            89            90 
      1  -0.140715D+01 -0.729142D-01  0.195322D+00  0.102133D+00  0.634530D-01
      2  -0.100875D+02 -0.157050D+00  0.102133D+00 -0.272046D-02 -0.202286D+00
      3  -0.157050D+00 -0.963196D+00  0.634530D-01 -0.202286D+00 -0.389894D-02
                91            92            93            94            95 
      1  -0.186993D+02  0.174137D+01 -0.673592D-01  0.160920D+01 -0.574841D+00
      2   0.174137D+01 -0.322682D+00 -0.830662D-01 -0.574841D+00 -0.500721D+01
      3  -0.673592D-01 -0.830662D-01 -0.308279D+01 -0.118629D+01 -0.791004D-01
                96            97            98            99           100 
      1  -0.118629D+01 -0.836693D+00 -0.338446D+00 -0.756860D+01 -0.693802D+01
      2  -0.791004D-01 -0.338446D+00 -0.426584D+00  0.107579D+01 -0.228112D+01
      3   0.923983D+00 -0.756860D+01  0.107579D+01 -0.170330D+00  0.159864D+01
               101           102           103           104           105 
      1  -0.228112D+01  0.159864D+01 -0.624401D+01  0.563331D+00  0.769756D+00
      2   0.167376D+00 -0.345094D+00  0.563331D+00  0.447141D+01  0.130557D+01
      3  -0.345094D+00  0.322243D+01  0.769756D+00  0.130557D+01 -0.255858D+01
               106           107           108           109           110 
      1  -0.474822D+01  0.420824D+00  0.528275D+01 -0.714137D+01  0.260035D+01
      2   0.420824D+00  0.658768D+00 -0.208004D+01  0.260035D+01 -0.574370D+00
      3   0.528275D+01 -0.208004D+01 -0.202463D-01 -0.383437D+00  0.508403D+00
               111           112           113           114           115 
      1  -0.383437D+00  0.186240D+01 -0.403989D+00  0.808651D+00  0.984088D+01
      2   0.508403D+00 -0.403989D+00  0.796322D+00  0.178935D+00 -0.629913D+00
      3   0.106575D+01  0.808651D+00  0.178935D+00 -0.552966D+00  0.499528D+01
               116           117           118           119           120 
      1  -0.629913D+00  0.499528D+01 -0.123596D+01  0.129086D+01  0.188507D-01
      2   0.120292D+01 -0.663482D+00  0.129086D+01  0.800067D+00 -0.892481D-01
      3  -0.663482D+00  0.377099D+00  0.188507D-01 -0.892481D-01  0.882640D+00
               121           122           123           124           125 
      1   0.344168D+01  0.195548D+01 -0.801098D-01  0.719683D+00 -0.404550D-01
      2   0.195548D+01  0.660668D+01 -0.322994D+00 -0.404550D-01 -0.443775D-01
      3  -0.801098D-01 -0.322994D+00  0.155197D+01  0.120186D+01  0.839209D+00
               126           127           128           129           130 
      1   0.120186D+01  0.150030D+02  0.130742D+01 -0.349111D+01  0.302978D+01
      2   0.839209D+00  0.130742D+01  0.121032D+01 -0.197559D+00  0.142891D+01
      3  -0.309135D+00 -0.349111D+01 -0.197559D+00  0.235430D+01 -0.876579D+00
               131           132           133           134           135 
      1   0.142891D+01 -0.876579D+00 -0.871864D+00 -0.183062D+00  0.104061D+01
      2   0.272476D+00 -0.504075D+00 -0.183062D+00 -0.144954D-01  0.377532D+00
      3  -0.504075D+00  0.910099D+00  0.104061D+01  0.377532D+00 -0.488355D+00
               136           137           138           139           140 
      1  -0.557311D+00  0.507853D+00 -0.753168D+00  0.133955D+01  0.120272D-01
      2   0.507853D+00 -0.645947D+00  0.518964D+00  0.120272D-01  0.748196D+00
      3  -0.753168D+00  0.518964D+00 -0.314058D+01 -0.229568D+00 -0.152802D+01
               141           142           143           144           145 
      1  -0.229568D+00 -0.639292D+00 -0.298531D-01 -0.338909D+00  0.525832D+00
      2  -0.152802D+01 -0.298531D-01 -0.135271D+01  0.154966D+01 -0.635185D+00
      3   0.282579D+01 -0.338909D+00  0.154966D+01 -0.693726D+01 -0.749724D-01
               146           147           148           149           150 
      1  -0.635185D+00 -0.749724D-01 -0.269817D+01  0.867888D+00  0.107950D+01
      2   0.101952D+00  0.349787D-01  0.867888D+00 -0.605166D+01 -0.172034D+01
      3   0.349787D-01 -0.519935D+00  0.107950D+01 -0.172034D+01 -0.219370D+01
               151           152           153           154           155 
      1   0.180824D+00  0.205595D+00 -0.136002D+00  0.196428D+02 -0.347922D+01
      2   0.205595D+00 -0.742733D+00 -0.702384D+00 -0.347922D+01  0.198744D+01
      3  -0.136002D+00 -0.702384D+00 -0.743180D+00  0.107410D+01 -0.367394D+00
               156           157           158           159           160 
      1   0.107410D+01 -0.589550D+01  0.465684D+01 -0.572207D+00  0.122462D+01
      2  -0.367394D+00  0.465684D+01 -0.303511D+01  0.277241D+00 -0.325914D+00
      3   0.307235D+01 -0.572207D+00  0.277241D+00 -0.109322D+01  0.228008D+01
               161           162           163           164           165 
      1  -0.325914D+00  0.228008D+01  0.138777D+02 -0.142464D+01  0.425154D+01
      2  -0.438317D+00 -0.779411D+00 -0.142464D+01  0.180637D+00  0.267660D+00
      3  -0.779411D+00 -0.325340D+00  0.425154D+01  0.267660D+00  0.118118D+01
               166           167           168           169           170 
      1  -0.434813D+01  0.247662D+00 -0.714423D+00  0.506007D+00  0.725060D+00
      2   0.247662D+00  0.202755D+00  0.156865D+01  0.725060D+00  0.550434D+00
      3  -0.714423D+00  0.156865D+01 -0.515250D+00  0.583331D+00  0.457925D+00
               171           172           173           174           175 
      1   0.583331D+00 -0.114233D+02  0.976647D+00 -0.227980D+01  0.325853D+01
      2   0.457925D+00  0.976647D+00 -0.403490D+00 -0.258958D+00 -0.164540D-01
      3   0.777347D+01 -0.227980D+01 -0.258958D+00 -0.316199D+01  0.651390D+00
               176           177           178           179           180 
      1  -0.164540D-01  0.651390D+00 -0.643979D+01  0.644647D-01 -0.235476D+01
      2   0.672410D+00  0.830431D+00  0.644647D-01  0.103129D+01  0.248677D+00
      3   0.830431D+00  0.111044D+01 -0.235476D+01  0.248677D+00  0.524074D+00
               181           182           183           184           185 
      1  -0.122828D+02  0.173139D+01  0.415170D+00  0.553169D+01  0.903423D+00
      2   0.173139D+01 -0.106538D+02  0.130423D+00  0.903423D+00 -0.555579D+01
      3   0.415170D+00  0.130423D+00 -0.231167D+01 -0.160069D+00 -0.124390D+00
               186           187           188           189           190 
      1  -0.160069D+00  0.278781D+00  0.269646D+00 -0.501245D+01 -0.347115D+02
      2  -0.124390D+00  0.269646D+00  0.614115D+00  0.322958D+01  0.695032D+00
      3   0.126610D+01 -0.501245D+01  0.322958D+01  0.112765D+01  0.161490D+01
               191           192           193           194           195 
      1   0.695032D+00  0.161490D+01  0.165769D+02 -0.939648D+00 -0.966526D+00
      2  -0.708007D+01 -0.111864D+00 -0.939648D+00  0.130278D+02  0.111508D+00
      3  -0.111864D+00 -0.382455D+01 -0.966526D+00  0.111508D+00  0.307529D+00
               196           197           198           199           200 
      1   0.215557D+01  0.119663D+00 -0.680440D+01  0.416649D+02 -0.380681D+01
      2   0.119663D+00  0.883099D+00  0.471992D+00 -0.380681D+01  0.799322D+01
      3  -0.680440D+01  0.471992D+00  0.132132D+01 -0.280743D+01 -0.219370D-01
               201           202           203           204           205 
      1  -0.280743D+01 -0.178778D+02 -0.662621D+00  0.107269D+01 -0.398161D+01
      2  -0.219370D-01 -0.662621D+00 -0.492655D+01  0.105487D+00 -0.144089D-01
      3   0.362767D+00  0.107269D+01  0.105487D+00 -0.265418D+01  0.288788D+00
               206           207           208           209           210 
      1  -0.144089D-01  0.288788D+00  0.335438D+01  0.102173D+01 -0.226875D+00
      2  -0.645663D+00 -0.366447D+01  0.102173D+01  0.245484D+01  0.819778D-01
      3  -0.366447D+01 -0.295590D+00 -0.226875D+00  0.819778D-01  0.589615D+00
               211           212           213           214           215 
      1   0.934299D-01 -0.278171D+01 -0.192847D+00 -0.374609D+00 -0.958152D-01
      2  -0.278171D+01  0.141485D+01  0.281087D+00 -0.958152D-01 -0.195925D+00
      3  -0.192847D+00  0.281087D+00 -0.112674D+01 -0.652297D+00  0.344025D+00
               216           217           218           219           220 
      1  -0.652297D+00  0.245440D+01 -0.156925D+01 -0.386635D+00 -0.161551D+01
      2   0.344025D+00 -0.156925D+01 -0.306372D+01  0.470627D+00  0.122626D+01
      3   0.542308D-01 -0.386635D+00  0.470627D+00 -0.222584D+01  0.667094D+00
               221           222           223           224           225 
      1   0.122626D+01  0.667094D+00 -0.454401D-01  0.530783D+00  0.112769D+01
      2  -0.771388D+00 -0.339308D+00  0.530783D+00  0.580503D-01  0.439626D+01
      3  -0.339308D+00  0.593451D+01  0.112769D+01  0.439626D+01  0.399699D+00
               226           227           228           229           230 
      1   0.781603D+00  0.126722D+01 -0.435913D-01  0.427244D+00  0.792240D+00
      2   0.126722D+01  0.247970D+01 -0.548185D-01  0.792240D+00  0.106698D+02
      3  -0.435913D-01 -0.548185D-01  0.198242D+00  0.639044D-01  0.764692D-01
               231           232           233           234           235 
      1   0.639044D-01 -0.659804D-01 -0.586133D-01 -0.207984D+00 -0.716823D+01
      2   0.764692D-01 -0.586133D-01  0.303992D-01  0.261024D+00  0.460389D+01
      3   0.984747D+00 -0.207984D+00  0.261024D+00  0.496303D-01  0.637014D+00
               236           237           238           239           240 
      1   0.460389D+01  0.637014D+00  0.532089D+01 -0.508956D+01 -0.464698D+00
      2  -0.406303D+01 -0.410745D+00 -0.508956D+01  0.598441D+01  0.500350D+00
      3  -0.410745D+00 -0.759853D+00 -0.464698D+00  0.500350D+00  0.868115D+00
               241           242           243           244           245 
      1   0.799365D+00 -0.492117D+00  0.229514D+00 -0.132562D+01 -0.205844D+01
      2  -0.492117D+00  0.469356D+00  0.296867D+00 -0.205844D+01 -0.116717D+01
      3   0.229514D+00  0.296867D+00  0.453782D-01  0.429826D-01  0.144056D+00
               246           247           248           249           250 
      1   0.429826D-01 -0.348708D+01 -0.312084D+01  0.127305D+00  0.382402D-02
      2   0.144056D+00 -0.312084D+01 -0.676408D+01  0.767558D-01  0.111518D+00
      3  -0.100446D+00  0.127305D+00  0.767558D-01 -0.684259D+00 -0.312796D-01
               251           252           253           254           255 
      1   0.111518D+00 -0.312796D-01  0.426761D+00  0.527114D+00 -0.562837D+00
      2  -0.658167D-01  0.960078D-01  0.527114D+00  0.491514D+00  0.677177D-01
      3   0.960078D-01 -0.861639D-02 -0.562837D+00  0.677177D-01  0.978957D+00
               256           257           258           259           260 
      1  -0.108771D+01 -0.179367D+01 -0.117376D+01 -0.387783D+01 -0.229117D+01
      2  -0.179367D+01 -0.269648D+01 -0.191032D+01 -0.229117D+01 -0.261538D+01
      3  -0.117376D+01 -0.191032D+01 -0.243921D+01 -0.231882D+01 -0.279579D+01
               261           262           263           264           265 
      1  -0.231882D+01 -0.161206D+02 -0.148646D+01  0.107649D+01  0.110349D+01
      2  -0.279579D+01 -0.148646D+01 -0.114925D+01  0.836037D-01 -0.107242D+01
      3  -0.484365D+01  0.107649D+01  0.836037D-01 -0.127715D+01 -0.900132D-01
               266           267           268           269           270 
      1  -0.107242D+01 -0.900132D-01  0.116812D+01  0.913499D-01 -0.149562D+01
      2   0.170309D+00  0.108004D+00  0.913499D-01  0.123072D+00 -0.485648D+00
      3   0.108004D+00 -0.813466D-01 -0.149562D+01 -0.485648D+00  0.312915D+00
               271           272           273           274           275 
      1   0.117790D+01  0.793572D+00  0.319265D+00 -0.871038D+00 -0.155831D+01
      2   0.793572D+00  0.976475D+00 -0.689313D+00 -0.155831D+01 -0.299199D+01
      3   0.319265D+00 -0.689313D+00  0.162283D+01  0.891069D+00  0.228236D+01
               276           277           278           279 
      1   0.891069D+00  0.295059D+01  0.168346D+01 -0.195563D+01
      2   0.228236D+01  0.168346D+01  0.261936D+01 -0.304051D+01
      3  -0.276758D+01 -0.195563D+01 -0.304051D+01  0.485024D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.236342D+01  0.297433D+01 -0.357924D+00  0.544807D+01 -0.333355D+01
      2   0.797293D+01 -0.816438D-01 -0.695758D+00  0.108653D+02 -0.124315D+01
      3   0.363219D+02  0.267972D+02 -0.184750D+01  0.553450D+02 -0.183319D+02
                 6             7             8             9            10 
      1  -0.763645D+00 -0.437128D+01  0.664948D+01  0.315261D+00 -0.895988D+00
      2   0.139044D+01 -0.196830D+02  0.235752D+01  0.163175D+01 -0.130479D+02
      3  -0.387834D+01 -0.322534D+00 -0.333497D+01  0.221792D+01 -0.221324D+02
                11            12            13            14            15 
      1   0.415805D+01  0.777448D+00  0.253167D+01 -0.539514D+00  0.683118D+00
      2   0.720573D+00 -0.549936D+01 -0.115271D+02  0.129374D+01 -0.608046D-01
      3   0.332051D+02  0.166340D+01  0.413570D+02 -0.208596D+02 -0.352566D+01
                16            17            18            19            20 
      1  -0.356659D+01  0.797758D+01  0.636210D+00 -0.342127D+01 -0.694686D+00
      2  -0.216470D+02  0.157408D+01  0.186307D+01 -0.143450D+02  0.216944D+01
      3   0.322460D+01 -0.378395D+01 -0.182193D+01 -0.468282D+02 -0.183971D+02
                21            22            23            24            25 
      1   0.103666D+01 -0.702302D+00 -0.106355D+01 -0.280531D+01 -0.650603D+01
      2  -0.149613D-01  0.715661D+01 -0.131165D+01  0.200422D+01 -0.168212D+02
      3   0.261461D+01  0.162072D+02 -0.267314D+01 -0.368555D+00  0.316968D+01
                26            27            28            29            30 
      1   0.465607D+00 -0.150009D+01 -0.599492D+00  0.120292D+01 -0.222741D+00
      2   0.694987D+01  0.134615D+01  0.183396D+02 -0.162160D+01  0.568185D+00
      3   0.189240D+01 -0.298341D+01  0.203263D+02  0.537832D+01 -0.712515D+00
                31            32            33            34            35 
      1   0.527784D+01  0.249940D+01  0.247311D+01 -0.201940D+01  0.137374D+02
      2  -0.314295D+00  0.445914D+00 -0.172415D+01 -0.161036D+02  0.165461D+01
      3   0.230311D+02  0.319218D+01  0.641986D+00  0.135864D+01 -0.149930D+01
                36            37            38            39            40 
      1   0.962321D+00 -0.250516D+00 -0.203250D+01  0.423802D+01 -0.107219D+01
      2   0.179192D+01  0.426250D+00 -0.287213D+00  0.198512D+01 -0.447862D+01
      3   0.354478D+01 -0.236394D+02 -0.388212D+01  0.415135D+00 -0.671842D+01
                41            42            43            44            45 
      1  -0.212214D+01 -0.738662D+00  0.147742D+02  0.637771D+01 -0.648771D+00
      2   0.655436D+00 -0.117951D+01 -0.109640D+02 -0.625533D+01  0.122428D+01
      3  -0.844708D+01 -0.141776D+01 -0.772173D+00 -0.145090D+01 -0.442771D+01
                46            47            48            49            50 
      1   0.145943D+01 -0.739692D+00 -0.441590D+01 -0.146127D+01  0.176905D+01
      2  -0.274536D+01 -0.371297D-01  0.133316D+01 -0.331366D+00  0.435557D+00
      3   0.430795D+02 -0.260695D+02 -0.239451D+01 -0.125744D+02  0.208506D+02
                51            52            53            54            55 
      1  -0.256654D+01 -0.811416D+01 -0.207523D+01  0.218352D+01  0.192792D+01
      2  -0.858541D+00 -0.177815D+02 -0.590753D+00  0.774403D+00 -0.893763D+00
      3   0.169844D+01 -0.393377D+01  0.268818D+01  0.551323D+01  0.277877D+02
                56            57            58            59            60 
      1  -0.331776D+01 -0.595727D+01  0.184324D+00  0.193589D+01 -0.307410D+01
      2  -0.134647D+01 -0.530293D+01  0.663319D+00 -0.477975D+00 -0.377795D+01
      3  -0.144096D+02 -0.828774D+00 -0.398251D+00  0.200436D+02  0.241339D+00
                61            62            63            64            65 
      1  -0.704807D+01 -0.336063D+01  0.122534D+01 -0.560782D+00  0.326826D-01
      2  -0.223864D+02 -0.602168D+01  0.185476D+01 -0.673060D-01  0.465626D+00
      3  -0.135030D+01  0.155535D+01  0.122299D+02  0.935784D-01  0.318985D+00
                66            67            68            69            70 
      1  -0.123183D+01 -0.586216D+00 -0.162861D+01 -0.427166D+01  0.120912D+00
      2   0.334278D+00  0.669884D+00  0.530846D+00  0.162396D+01 -0.227090D+01
      3   0.123360D+00  0.549034D+01 -0.480331D+01 -0.224094D-01 -0.997763D-02
                71            72            73            74            75 
      1   0.207589D+01  0.225346D+00 -0.637427D+00 -0.582853D+00  0.287998D+01
      2  -0.723585D+00  0.250252D-02  0.200936D+01 -0.936273D+00  0.172851D+01
      3  -0.197114D+00  0.440084D+00 -0.960437D+01 -0.314671D+00  0.817469D+00
                76            77            78            79            80 
      1  -0.101824D+01  0.142164D+01 -0.296181D+01 -0.188834D+01  0.159485D+01
      2  -0.132508D+01  0.106873D+01 -0.252879D+01 -0.275810D+01  0.128459D+00
      3   0.198851D+01  0.263380D+01  0.540897D-01  0.190671D+01  0.919227D-01
                81            82            83            84            85 
      1   0.617820D-01  0.798893D+00  0.911986D+00 -0.130293D+01  0.392299D+00
      2   0.346907D-02 -0.299569D+00 -0.358368D+00  0.666317D+00 -0.265797D+00
      3   0.462754D+00  0.557142D+01  0.190778D+01 -0.273277D+00  0.568207D+01
                86            87            88            89            90 
      1   0.279042D+01 -0.478266D+01  0.113669D+01  0.205603D+01 -0.385258D-01
      2  -0.525020D+00  0.104450D+01 -0.813151D+00  0.987163D+00  0.605335D-01
      3   0.368983D+01  0.884989D-01 -0.507065D+00 -0.239131D+00 -0.107279D+01
                91            92            93            94            95 
      1  -0.233253D+01  0.774563D+00  0.698671D+00  0.230355D+01  0.195387D+01
      2  -0.134619D+02  0.780618D+00 -0.629728D+01 -0.120288D+01 -0.118664D+01
      3  -0.120681D+02 -0.477648D+01  0.420869D-01  0.105641D+02  0.226386D+02
                96            97            98            99           100 
      1  -0.259417D+01  0.241488D+01  0.348370D+01 -0.580849D+00  0.415680D+01
      2   0.185219D+01 -0.355582D+02  0.392382D+01 -0.357419D+01 -0.120031D+02
      3  -0.332248D+00  0.914503D-01  0.493068D+00 -0.785543D+01  0.148404D+02
               101           102           103           104           105 
      1  -0.226415D+01  0.915607D+00  0.930671D-01 -0.109344D+02 -0.677780D+01
      2  -0.454763D+01  0.206175D+02 -0.351928D+01  0.630147D+01 -0.101939D+02
      3  -0.562534D+01 -0.478987D+00 -0.828725D+00 -0.233355D+02 -0.601278D+01
               106           107           108           109           110 
      1  -0.887027D+00 -0.111607D+01  0.676066D+01  0.683686D+01 -0.187607D+01
      2   0.154018D+02 -0.852715D+01  0.849543D+01  0.148641D+02 -0.127308D+01
      3  -0.351302D+01 -0.469002D+01  0.101392D+02  0.339859D+00  0.135556D+02
               111           112           113           114           115 
      1  -0.891219D+01 -0.120279D+02  0.266029D+01 -0.143902D+02 -0.778707D+01
      2   0.126253D+01 -0.168531D+00  0.137716D+01  0.845984D+01  0.145255D+02
      3   0.155428D+01  0.181229D+02 -0.150333D+02  0.178629D+01  0.757373D+01
               116           117           118           119           120 
      1  -0.475020D+01 -0.295617D+01 -0.630968D+00 -0.685263D+00 -0.345046D+00
      2   0.957558D+00  0.649648D-02 -0.381026D+00  0.380846D+00  0.360957D+01
      3  -0.205966D+00  0.534055D+01 -0.763384D+01 -0.282652D+01  0.139919D+00
               121           122           123           124           125 
      1  -0.911205D+00 -0.356872D+01 -0.270482D+01 -0.311577D+00  0.456109D+00
      2   0.118649D+01  0.353469D+00  0.497188D+01  0.216945D+01  0.241866D+01
      3  -0.997383D+00 -0.235791D+02  0.995664D+00  0.914602D+00  0.862507D-02
               126           127           128           129           130 
      1   0.239615D+00 -0.219074D+01 -0.348132D+01 -0.591274D-01 -0.274828D+01
      2  -0.463903D+00  0.122038D+02  0.170514D+01  0.743612D+01  0.168505D+01
      3  -0.184658D+01 -0.534737D+01 -0.827798D+01  0.800406D+00 -0.501140D+01
               131           132           133           134           135 
      1  -0.506501D-01 -0.180795D+00  0.728021D+00  0.878908D+00 -0.807796D+00
      2   0.244974D+00  0.277758D+01  0.190310D+01  0.764956D+00  0.342856D+00
      3  -0.428789D+00  0.190057D+01  0.495300D+00  0.174877D+01 -0.143049D+01
               136           137           138           139           140 
      1  -0.176674D+01  0.294470D+01 -0.949787D+00  0.104287D+01 -0.201813D+01
      2  -0.668626D+01  0.340275D+01 -0.132211D+02  0.252226D+01 -0.615196D+01
      3  -0.269390D+01  0.256154D+01 -0.195289D+01  0.198591D+01 -0.242647D+01
               141           142           143           144           145 
      1   0.186939D+01 -0.417494D-01  0.498463D+01 -0.348529D+01  0.248360D+01
      2   0.108578D+02 -0.611133D+01  0.671221D+01 -0.277455D+02 -0.230931D+00
      3   0.549418D+01  0.214869D+00  0.456625D+01 -0.605133D+01  0.448248D+01
               146           147           148           149           150 
      1   0.246990D+00 -0.527775D+00 -0.171847D+00  0.140599D+02  0.337474D+00
      2  -0.994622D+00 -0.160579D+01 -0.100816D+01 -0.572832D+01 -0.686517D+01
      3   0.258305D+00 -0.677805D+00  0.151356D+01  0.264094D+02  0.624920D+01
               151           152           153           154           155 
      1  -0.667271D+00  0.245900D+01  0.119192D+01 -0.493874D+01  0.258300D+01
      2  -0.103675D+01 -0.208749D+01 -0.296200D+01 -0.880372D+01  0.107786D+01
      3  -0.197397D+01  0.252301D+01  0.299849D+01  0.127579D+02 -0.224688D+02
               156           157           158           159           160 
      1   0.451416D+01  0.841745D+01 -0.376630D+01 -0.832345D+00  0.169521D+01
      2   0.236271D+02 -0.276160D+01 -0.191067D+01 -0.102168D+02  0.515480D+01
      3   0.387583D+00 -0.186666D+02  0.188066D+02 -0.176947D+01  0.401060D-01
               161           162           163           164           165 
      1   0.295324D+01 -0.689900D+00 -0.840656D+01  0.229055D+01  0.905278D+00
      2  -0.306263D+01 -0.267349D+01 -0.118711D+02  0.462473D+01  0.209583D+01
      3  -0.678895D+00  0.305862D+01  0.114233D+02 -0.456765D+01  0.498867D+00
               166           167           168           169           170 
      1   0.619961D+01  0.438534D-02  0.458848D+01 -0.976164D+00  0.938987D+01
      2   0.707686D+01  0.572489D+01 -0.313853D+01 -0.785184D+01  0.132534D+01
      3  -0.272632D+01 -0.135072D+00 -0.786474D+01 -0.215920D+01 -0.254081D+01
               171           172           173           174           175 
      1  -0.900615D+00  0.821442D+01 -0.266483D+01  0.188703D+01 -0.675308D+01
      2   0.266534D+02  0.231583D+02 -0.388187D+01 -0.710954D+01 -0.622216D+01
      3  -0.197221D+01 -0.916454D+01  0.267443D+01 -0.115242D+01  0.721224D+01
               176           177           178           179           180 
      1   0.549144D+00 -0.254392D+01  0.238222D+01 -0.708597D+00  0.110021D+01
      2   0.348375D+01  0.280410D+01 -0.881890D+00  0.489159D+00  0.343866D+01
      3  -0.104696D+01 -0.102666D+01 -0.450641D+01  0.350078D+00 -0.181770D+01
               181           182           183           184           185 
      1  -0.294035D+00  0.172932D+01  0.617261D+01 -0.112720D+01 -0.143023D+01
      2  -0.125827D+01 -0.110915D+00  0.804745D+01  0.101748D+01  0.161188D+01
      3  -0.243589D+02 -0.875593D+01  0.128992D+01 -0.570334D+01 -0.275632D+02
               186           187           188           189           190 
      1  -0.110578D+01  0.166911D+02  0.648198D+01 -0.241464D+01 -0.136537D+01
      2  -0.259295D+01  0.194856D+01 -0.120538D+02 -0.225236D+01 -0.737071D+01
      3  -0.383716D+00  0.269639D+00 -0.679916D+00 -0.163859D+01 -0.221161D+02
               191           192           193           194           195 
      1   0.424982D+01  0.103572D+01  0.496488D+01 -0.907535D+00  0.402691D+01
      2  -0.361929D+00  0.177731D+01  0.284148D+01 -0.159910D+01 -0.872918D+00
      3   0.186591D+02  0.205692D+01  0.582669D+02  0.238343D+02 -0.413348D+01
               196           197           198           199           200 
      1  -0.299404D+01  0.138216D+02  0.608957D+00  0.311266D+00 -0.301854D+01
      2   0.144158D+01 -0.174877D+01 -0.171797D+01  0.912179D+01  0.296215D-01
      3   0.356839D+01 -0.233921D+01 -0.174672D+00  0.116233D+02 -0.218806D+02
               201           202           203           204           205 
      1  -0.395436D+00 -0.125388D+01  0.103874D+01 -0.332229D+01 -0.111070D+01
      2   0.285710D+01 -0.275805D+01 -0.362380D+00  0.583169D+01 -0.218993D+02
      3  -0.170788D+01 -0.181881D+02 -0.936739D-01  0.202823D+01 -0.251413D+01
               206           207           208           209           210 
      1   0.258337D+01  0.374008D+00  0.122173D+01 -0.400807D+01 -0.132500D+01
      2   0.125892D+02  0.197962D+01  0.699643D+00  0.546664D+00  0.103232D+02
      3   0.207591D+01 -0.609674D+01  0.170747D+02 -0.402572D+02 -0.202448D+01
               211           212           213           214           215 
      1  -0.526732D+00 -0.327769D-01 -0.787955D+01  0.366878D+01 -0.149906D+00
      2   0.846019D+00 -0.686492D+00  0.858782D+01 -0.423364D+01 -0.427083D+01
      3  -0.462962D+01  0.945913D+00  0.973676D+00 -0.193768D+01  0.339279D+01
               216           217           218           219           220 
      1  -0.377605D+00 -0.180933D+01  0.704710D+00 -0.357406D+01  0.592752D+00
      2  -0.608507D+00  0.209490D+01 -0.240776D+01  0.123105D+02 -0.324477D+01
      3   0.108796D+01 -0.335761D+02 -0.135865D+02  0.576628D+01  0.706080D+00
               221           222           223           224           225 
      1   0.129253D+01  0.111081D+02  0.118800D+02  0.124404D+02  0.169977D+01
      2   0.113676D+01 -0.343786D+02 -0.369841D+01 -0.238424D+02 -0.267032D+01
      3   0.196096D+02 -0.178302D+01  0.465465D+01 -0.688104D+00  0.314133D+02
               226           227           228           229           230 
      1   0.282186D+00  0.232487D+00 -0.149675D+01 -0.151861D+00 -0.229238D+00
      2   0.271256D-01  0.117205D+00  0.171867D+00 -0.141444D+00 -0.378041D+00
      3   0.737270D+01  0.619969D+01 -0.397396D+00  0.549715D+01  0.225473D+02
               231           232           233           234           235 
      1  -0.525482D+01  0.802073D+00  0.215402D+01 -0.126037D+00 -0.961987D+00
      2  -0.777657D+00  0.163017D+00  0.622982D-01 -0.104357D+00 -0.151488D+01
      3   0.330310D+00 -0.542109D+00 -0.216160D+00 -0.450605D+00 -0.363797D+00
               236           237           238           239           240 
      1   0.238148D+00  0.283054D+01  0.287742D+00 -0.101984D+00 -0.330525D+01
      2   0.100417D+01  0.405104D+01  0.103559D+01 -0.126774D+01 -0.432842D+01
      3  -0.720026D+01 -0.134192D+00 -0.624499D+01  0.126157D+02  0.891303D+00
               241           242           243           244           245 
      1  -0.272935D+01  0.103345D+01 -0.185244D-03  0.325658D+00  0.304105D+00
      2  -0.305178D+01 -0.116606D+01 -0.186070D+00 -0.357775D+00 -0.557074D+00
      3   0.202102D+00  0.757271D+00  0.153904D+01 -0.739454D+00 -0.160620D+01
               246           247           248           249           250 
      1  -0.611653D+00  0.516404D+00  0.228290D+00 -0.339312D+01 -0.278386D+00
      2   0.274350D+00 -0.584328D+00 -0.324728D+00  0.220186D+01 -0.151808D+01
      3   0.930975D-01  0.657201D+00 -0.162279D+02 -0.200358D+00  0.125961D+00
               251           252           253           254           255 
      1   0.166485D+01  0.559943D-01 -0.431201D+00  0.267996D+00  0.226267D+01
      2  -0.141162D+01  0.906116D-01  0.511281D+01  0.160976D+00 -0.462533D+01
      3  -0.420356D+00  0.549774D+00  0.254953D+00  0.517916D+01  0.188029D+01
               256           257           258           259           260 
      1  -0.139096D+01 -0.305782D+01 -0.562634D+01 -0.448733D+01 -0.305399D+01
      2   0.566795D+01  0.100545D+02  0.136532D+02  0.710569D+01  0.150823D+02
      3  -0.566147D+01 -0.187028D+02 -0.116511D+02 -0.700959D+01 -0.167855D+02
               261           262           263           264           265 
      1  -0.986237D+01  0.107549D+01 -0.471648D+00 -0.171194D+01 -0.252351D+00
      2   0.260077D+02 -0.249359D+01 -0.142122D+00  0.957230D+01  0.273174D+00
      3  -0.187087D+02  0.109346D+02 -0.860620D+01 -0.941577D+00 -0.505398D+01
               266           267           268           269           270 
      1   0.198605D+00 -0.908534D+00 -0.190103D+01 -0.365778D+00  0.194977D+00
      2  -0.352814D+00  0.588265D+00  0.646495D+01  0.246644D+01 -0.152409D+01
      3   0.234980D+01  0.614413D+00 -0.967606D+00  0.929694D+00 -0.209271D+01
               271           272           273           274           275 
      1   0.359900D-01 -0.897854D-02  0.324298D+01  0.541668D+00  0.133027D+01
      2  -0.483705D+01  0.281224D+01 -0.774893D+01 -0.365404D+01 -0.112123D+02
      3   0.314285D+00  0.833480D+01 -0.567226D+01 -0.404694D+01 -0.208109D+02
               276           277           278           279 
      1  -0.483081D+01 -0.294083D+01 -0.166046D+01  0.760580D+01
      2   0.148453D+02  0.461420D+01  0.156498D+02 -0.244460D+02
      3   0.137432D+02  0.420908D+01  0.166770D+02 -0.200941D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.716124D+02  0.231835D+02  0.455484D+01 -0.887794D+02 -0.329060D+01
      2   0.321200D+02 -0.148206D+02 -0.269729D+01  0.353344D+02  0.154967D+02
      3   0.394925D+02 -0.836288D+01 -0.185755D+01  0.534450D+02 -0.122061D+02
      4  -0.867255D+01  0.184883D+02  0.127306D+01  0.112998D+02 -0.236120D+02
      5   0.134300D+01 -0.116305D+01 -0.271319D+01 -0.332295D+01  0.170808D+01
      6   0.652910D+00 -0.149053D+01  0.111876D+01  0.213310D+01 -0.169517D+01
                 6             7             8             9            10 
      1   0.702546D+01  0.521927D+01 -0.156382D+01 -0.100522D+02  0.792472D+02
      2  -0.245031D+01 -0.278614D+01  0.199620D+01 -0.414403D+00 -0.223241D+02
      3  -0.457515D+01 -0.243313D+01 -0.432386D+00  0.104666D+02 -0.569231D+02
      4  -0.141650D+01  0.582907D+00 -0.164643D+01 -0.187002D+01  0.349453D+02
      5   0.442921D+01  0.107870D+01 -0.958196D+00  0.169755D+01 -0.107433D+01
      6  -0.150772D+00  0.328354D+01  0.499750D+01 -0.973632D+00 -0.325757D+01
                11            12            13            14            15 
      1   0.194382D+02 -0.725562D+01  0.973887D+02 -0.211919D+02 -0.758143D+01
      2  -0.148800D+02  0.130475D+01 -0.365684D+02  0.141447D+02  0.332405D+01
      3  -0.455823D+01  0.595088D+01 -0.608202D+02  0.704725D+01  0.425739D+01
      4   0.124765D+02 -0.143680D+01 -0.251251D+02  0.199040D+02  0.180899D+01
      5  -0.110263D+01 -0.130026D+02  0.226848D+01 -0.723825D+00 -0.200526D+01
      6   0.480183D+00 -0.526251D+00 -0.639938D+00  0.213224D+01 -0.203584D+01
                16            17            18            19            20 
      1  -0.498790D+01 -0.159645D+01 -0.599565D+01  0.446825D+02 -0.296274D+02
      2   0.387376D+00  0.108895D+01 -0.265318D+01 -0.124856D+02  0.168461D+02
      3   0.460053D+01  0.507502D+00  0.864883D+01 -0.321969D+02  0.127813D+02
      4  -0.284908D+01 -0.346073D+00  0.488772D+01 -0.214019D+01 -0.245647D+02
      5   0.193918D+01  0.336641D+01  0.265235D+01  0.499228D+00  0.163610D+01
      6   0.256786D+01  0.391074D+01 -0.191847D+00 -0.120692D+01  0.505188D+01
                21            22            23            24            25 
      1  -0.753297D+01  0.140419D+02  0.194638D+02  0.306113D+01 -0.395349D+01
      2   0.357504D+01 -0.264966D+02 -0.248939D+02 -0.210282D+00  0.199457D-01
      3   0.395793D+01  0.124548D+02  0.543015D+01 -0.285085D+01  0.393354D+01
      4   0.107219D+00  0.823793D+01 -0.209441D+01 -0.278361D+00  0.187953D+01
      5  -0.303939D+01 -0.895962D+00 -0.182392D-01  0.782089D+01  0.120318D+02
      6  -0.501116D+00  0.662584D+00 -0.166255D+01  0.563634D+01  0.338644D+01
                26            27            28            29            30 
      1   0.766549D+01 -0.116564D+02  0.186344D+02 -0.512642D+01  0.434535D+01
      2  -0.278499D+01  0.522596D-01 -0.378103D+02  0.486240D+01 -0.817673D+00
      3  -0.488050D+01  0.116041D+02  0.191759D+02  0.264016D+00 -0.352768D+01
      4   0.182807D+01  0.650796D+01 -0.764679D+00  0.134479D+02  0.904116D-01
      5   0.844588D+01  0.226651D+01 -0.651320D+01  0.162740D+01  0.873399D+01
      6   0.131283D+02 -0.231430D+01  0.992796D+00 -0.228129D+01  0.246920D+01
                31            32            33            34            35 
      1   0.405359D+02 -0.472507D+02 -0.106913D+01  0.584757D+01 -0.223139D+01
      2  -0.278446D+02  0.412926D+02  0.143850D+01 -0.677792D+00  0.120568D+01
      3  -0.126913D+02  0.595813D+01 -0.369364D+00 -0.516978D+01  0.102572D+01
      4  -0.276795D+02 -0.160633D+02  0.141184D+00 -0.256277D+01 -0.318506D+00
      5  -0.132059D+01  0.159045D+01 -0.299532D+01  0.331342D+02 -0.356102D+01
      6   0.682688D+00  0.455753D+01 -0.382188D+01  0.402897D+01  0.325882D+01
                36            37            38            39            40 
      1   0.320331D+00 -0.200147D+02  0.531913D+02  0.451178D+01 -0.388895D+02
      2  -0.119293D+02  0.113420D+02 -0.359490D+02 -0.108291D+01  0.395666D+02
      3   0.116090D+02  0.867266D+01 -0.172423D+02 -0.342887D+01 -0.677098D+00
      4  -0.582045D+00  0.250363D+02  0.567365D+01 -0.256957D+01  0.163018D+02
      5  -0.661440D+00  0.478575D-01 -0.431403D+01  0.442685D+01  0.188439D+01
      6  -0.920438D+00 -0.340383D+01 -0.416739D+01 -0.883029D+01 -0.109015D+01
                41            42            43            44            45 
      1   0.258357D+02  0.814075D+00  0.256302D+01 -0.620164D+01 -0.120541D+02
      2  -0.240005D+02 -0.223801D+01  0.299897D+01  0.140006D+01 -0.790885D+00
      3  -0.183524D+01  0.142393D+01 -0.556199D+01  0.480158D+01  0.128449D+02
      4   0.245852D+02  0.414083D+00 -0.376037D+01  0.141053D+01 -0.652907D+01
      5  -0.100563D+01 -0.716842D+01  0.139433D+02 -0.704429D+01 -0.228114D+01
      6  -0.369291D+01  0.171682D+01 -0.169375D+02  0.904942D+01  0.459741D+01
                46            47            48            49            50 
      1   0.259824D+02 -0.431648D+02 -0.623487D+01  0.133420D+02  0.832370D+01
      2  -0.203285D+02  0.281280D+02  0.200991D+01 -0.102129D+02 -0.178430D+02
      3  -0.565393D+01  0.150369D+02  0.422495D+01 -0.312903D+01  0.951929D+01
      4  -0.306467D+02 -0.139710D+02  0.196612D+01  0.175461D+02 -0.924508D+01
      5   0.343070D+01  0.196621D+01  0.106407D+01  0.233224D+00 -0.762019D+00
      6   0.227396D+01  0.616462D+01  0.722914D+01 -0.155223D+01 -0.380010D+00
                51            52            53            54            55 
      1  -0.755572D+00 -0.389323D+01  0.276608D+01 -0.204733D+02 -0.144100D+02
      2  -0.753803D+00  0.240452D+01 -0.488987D+01  0.810527D+01  0.637042D+00
      3   0.150938D+01  0.148871D+01  0.212379D+01  0.123680D+02  0.137730D+02
      4  -0.114862D+01  0.322429D+01  0.289116D+01  0.137532D+01  0.217961D+02
      5  -0.340270D-01  0.389859D+01 -0.360937D-01  0.215615D+01 -0.373644D+01
      6   0.686903D+01  0.284636D+01  0.197504D+02  0.174743D+01  0.121041D+01
                56            57            58            59            60 
      1  -0.331324D+02 -0.265224D+01 -0.105927D+01  0.182867D+02  0.713694D+00
      2   0.298671D+02  0.153877D+01 -0.374612D+01 -0.229918D+02 -0.420121D+00
      3   0.326523D+01  0.111347D+01  0.480539D+01  0.470503D+01 -0.293573D+00
      4  -0.584576D+02 -0.260813D+01  0.147636D+02 -0.926955D+01 -0.448499D-01
      5   0.140151D+01 -0.936122D+01  0.910911D+00 -0.281276D+00 -0.559106D+01
      6   0.304906D+01  0.108689D+02 -0.393417D+00 -0.503704D+00  0.827384D+01
                61            62            63            64            65 
      1  -0.954441D+00  0.284034D+01 -0.269635D+02 -0.104339D+01 -0.402547D+01
      2   0.120271D+01 -0.345907D+01  0.137938D+02  0.522284D+01  0.641223D+01
      3  -0.248267D+00  0.618729D+00  0.131697D+02 -0.417945D+01 -0.238676D+01
      4  -0.222127D+01  0.758209D+01 -0.111101D+02  0.838644D+01  0.117024D+02
      5  -0.141560D+01 -0.155533D+02  0.321523D+01 -0.804903D+00 -0.610887D+00
      6   0.295930D+01  0.241520D+02 -0.171342D+01 -0.116319D+01 -0.144617D+01
                66            67            68            69            70 
      1   0.150472D+00 -0.803833D+01 -0.309808D+02  0.133822D+01 -0.104647D+01
      2  -0.582832D-01  0.123670D+02  0.404989D+02 -0.852096D+00  0.643734D+00
      3  -0.921886D-01 -0.432862D+01 -0.951807D+01 -0.486121D+00  0.402735D+00
      4  -0.420418D+00  0.133378D+02  0.220342D+02 -0.517755D+00 -0.309513D+00
      5   0.148426D+01 -0.605239D+00  0.281881D+00  0.264930D+01 -0.203286D+00
      6   0.157671D+01 -0.169332D+01 -0.484699D+01  0.658890D+01  0.143978D+01
                71            72            73            74            75 
      1  -0.227950D-02 -0.309590D+01  0.704053D+01  0.224084D+01  0.291830D-01
      2  -0.434775D-01  0.331988D+01  0.707898D+00 -0.818619D+01  0.194944D+00
      3   0.457570D-01 -0.223975D+00 -0.774842D+01  0.594534D+01 -0.224127D+00
      4  -0.512958D+00  0.919709D+00 -0.212805D+02  0.177762D+02  0.163443D+01
      5   0.263317D+00 -0.252859D+00 -0.503324D+01  0.202957D+01  0.465588D+01
      6   0.273472D+01 -0.403266D+00  0.293604D+01 -0.249069D+01 -0.271000D+01
                76            77            78            79            80 
      1   0.460654D+01 -0.130868D+02 -0.160594D+01 -0.121387D+01 -0.517719D+00
      2  -0.126081D+02  0.222366D+02  0.116522D+01  0.114172D+00  0.785880D+00
      3   0.800160D+01 -0.914979D+01  0.440721D+00  0.109970D+01 -0.268161D+00
      4   0.234473D+02 -0.254048D+02 -0.212463D+01  0.184369D+01 -0.140772D+01
      5   0.293850D+01 -0.240356D+01 -0.394962D+01  0.485874D+00 -0.135910D+01
      6  -0.366580D+01  0.473809D+01  0.526370D+01  0.690027D+00  0.229793D+01
                81            82            83            84            85 
      1  -0.546815D-01 -0.390659D+01 -0.810890D+01  0.291666D+00 -0.573125D+01
      2   0.834271D+00  0.642433D+01  0.115630D+02 -0.253322D+00  0.727079D+01
      3  -0.779590D+00 -0.251775D+01 -0.345406D+01 -0.383444D-01 -0.153955D+01
      4  -0.232337D+01  0.463303D+01  0.122884D+02  0.250326D+00  0.800969D+01
      5  -0.392188D+00  0.874653D+00  0.123239D+01  0.193402D+01  0.789742D+00
      6   0.508169D+00  0.630464D+00  0.395723D+00  0.172441D+01  0.802709D+00
                86            87            88            89            90 
      1  -0.465885D+02 -0.102246D+01  0.744224D+00  0.120579D+00 -0.193197D+01
      2   0.611080D+02  0.565937D+00 -0.571452D+00 -0.120271D+00  0.212309D+01
      3  -0.145195D+02  0.456518D+00 -0.172772D+00 -0.308550D-03 -0.191116D+00
      4   0.145798D+02  0.389932D+00 -0.161750D+00 -0.679865D+00  0.205811D+01
      5   0.286977D+01  0.123569D+01  0.988481D+00  0.172418D+01  0.463795D-01
      6   0.456079D+01  0.773339D+01 -0.253872D-01  0.312649D+01 -0.191742D-01
                91            92            93            94            95 
      1  -0.156428D+02  0.599283D+01 -0.114431D+02  0.679979D+01  0.976295D+01
      2   0.234821D+02 -0.714363D+01 -0.612434D+00 -0.110350D+02 -0.179721D+02
      3  -0.783936D+01  0.115080D+01  0.120555D+02  0.423519D+01  0.820920D+01
      4   0.713109D+01 -0.126924D+01 -0.101021D+01 -0.399786D+01 -0.412918D+02
      5  -0.830193D+00 -0.222393D+01 -0.208465D+02 -0.142503D+02 -0.102803D+01
      6  -0.200688D+01  0.276494D+01  0.458942D+00 -0.468557D+00  0.560273D+01
                96            97            98            99           100 
      1  -0.696280D+01 -0.513744D+01 -0.599520D+00 -0.251212D+02 -0.676354D+02
      2   0.962254D+01 -0.411736D+01  0.530147D-01  0.190558D+02  0.364802D+02
      3  -0.265974D+01  0.925479D+01  0.546505D+00  0.606542D+01  0.311551D+02
      4  -0.107764D+01 -0.246980D+01 -0.118253D+01  0.673441D+01 -0.241297D+02
      5   0.447490D+01 -0.597019D+02  0.749883D+01  0.410270D+01  0.357257D+02
      6   0.165562D+01  0.164612D+01  0.817756D+00 -0.312968D+01  0.109669D+02
               101           102           103           104           105 
      1  -0.182107D+02  0.309263D+02 -0.293388D+02  0.109233D+02 -0.623455D+01
      2   0.723071D+01 -0.298100D+01  0.209094D+02 -0.713511D+01 -0.955672D+01
      3   0.109800D+02 -0.279453D+02  0.842945D+01 -0.378823D+01  0.157913D+02
      4   0.533127D+01 -0.249829D+00  0.228397D+01  0.377464D+02  0.104079D+02
      5   0.378618D+01  0.171094D+02  0.140641D+02  0.702115D+01 -0.152127D+02
      6  -0.333929D+01  0.211342D+01 -0.159296D+01 -0.180923D+02 -0.628537D+01
               106           107           108           109           110 
      1   0.309943D+01 -0.768468D+01  0.336472D+02 -0.951806D+02  0.197177D+02
      2   0.156842D+02 -0.457860D+01 -0.139894D+02  0.402850D+02 -0.267870D+01
      3  -0.187836D+02  0.122633D+02 -0.196577D+02  0.548955D+02 -0.170390D+02
      4   0.152814D+01  0.690429D+01 -0.146486D+02  0.333205D+02 -0.212253D+02
      5   0.408750D+02 -0.129511D+02 -0.154838D+02 -0.159990D+02  0.848108D+01
      6  -0.197867D+01 -0.358977D+01  0.137144D+02  0.666904D+01 -0.982519D+00
               111           112           113           114           115 
      1  -0.875529D+01  0.334611D+02 -0.127138D+02  0.345466D+01  0.322816D+02
      2   0.376268D+01 -0.874975D+01  0.923758D+01 -0.237138D+01 -0.226556D+02
      3   0.499261D+01 -0.247113D+02  0.347627D+01 -0.108329D+01 -0.962601D+01
      4   0.574576D+01 -0.350288D+01  0.207610D+02  0.212838D+00 -0.269040D+01
      5  -0.700872D+01  0.128997D+02 -0.137339D+01  0.451486D+01  0.315619D+02
      6   0.396478D+01 -0.177939D+01  0.304783D+01  0.139337D+01 -0.462243D+01
               116           117           118           119           120 
      1   0.130907D+01  0.313893D+02 -0.393811D+01  0.643915D+01  0.152391D+01
      2   0.105163D+01 -0.729022D+01  0.749928D+01 -0.147259D+01 -0.757669D+00
      3  -0.236070D+01 -0.240991D+02 -0.356117D+01 -0.496656D+01 -0.766238D+00
      4   0.380537D+01 -0.726781D+01  0.116571D+02  0.105829D+02 -0.909661D+00
      5  -0.687081D+01  0.641480D+01  0.496550D+00 -0.128777D+01  0.792223D+01
      6  -0.395170D+01 -0.393041D+01 -0.126739D+01 -0.103406D+01  0.219239D+00
               121           122           123           124           125 
      1   0.114177D+02 -0.131472D+02  0.274122D+01  0.342984D+01 -0.421663D+00
      2  -0.104337D+01  0.275329D+02 -0.149568D+01 -0.204750D+01  0.183194D+01
      3  -0.103744D+02 -0.143856D+02 -0.124554D+01 -0.138234D+01 -0.141028D+01
      4   0.185879D+02  0.489313D+02 -0.243112D+01 -0.654092D-01  0.442318D-01
      5  -0.116609D+01 -0.220419D+01  0.112784D+02  0.973231D+01  0.527216D+01
      6  -0.160798D+01 -0.630862D+01  0.497323D+01  0.161961D+01  0.575953D+01
               126           127           128           129           130 
      1   0.930122D+00  0.110462D+03  0.113184D+02 -0.198129D+02  0.206092D+02
      2  -0.379401D+00 -0.658839D+02 -0.541499D+01  0.177809D+02 -0.113334D+02
      3  -0.550721D+00 -0.445777D+02 -0.590340D+01  0.203192D+01 -0.927577D+01
      4   0.563740D+01  0.173390D+02  0.150660D+02 -0.332978D+01  0.181180D+02
      5  -0.196120D+01 -0.610629D+02 -0.528090D+01  0.296561D+02 -0.131234D+02
      6  -0.530541D+00 -0.735921D+01 -0.585735D+01  0.163400D+01 -0.625815D+01
               131           132           133           134           135 
      1   0.911573D+01 -0.231164D+01 -0.723466D+01  0.661550D+00  0.613942D+01
      2  -0.366644D+01  0.409636D+01  0.715833D+01  0.121541D+01 -0.663815D+01
      3  -0.544929D+01 -0.178472D+01  0.763313D-01 -0.187696D+01  0.498730D+00
      4   0.359788D+01 -0.521254D+01 -0.723550D+00 -0.214325D+01  0.344119D+01
      5  -0.679088D+01  0.819799D+01  0.154147D+02  0.326960D+01 -0.713451D+01
      6  -0.768637D+00  0.349459D+01  0.148447D+01  0.167460D+01 -0.190667D+01
               136           137           138           139           140 
      1  -0.445631D+01  0.697647D+01 -0.213085D+02  0.827398D+01 -0.965198D+01
      2  -0.699530D+00 -0.151215D+01 -0.196499D+01 -0.508631D+01  0.203764D+01
      3   0.515584D+01 -0.546432D+01  0.232735D+02 -0.318767D+01  0.761435D+01
      4   0.340001D+01 -0.422155D+01  0.302958D+01  0.173675D+01  0.440910D+01
      5  -0.780600D+00  0.381030D+00 -0.119521D+02 -0.598774D+01 -0.768908D+01
      6  -0.295478D+01  0.480570D+01 -0.444344D+01 -0.109373D+00 -0.603794D+01
               141           142           143           144           145 
      1   0.124352D+02 -0.956213D+01  0.812391D+01 -0.366214D+02  0.673273D+01
      2   0.356516D+01  0.345214D+01  0.205909D+01 -0.128626D+02 -0.168867D+01
      3  -0.160003D+02  0.610999D+01 -0.101830D+02  0.494839D+02 -0.504406D+01
      4  -0.103276D+02 -0.708337D+00 -0.912571D+01  0.115127D+02 -0.432459D+01
      5   0.164459D+02  0.611179D+01  0.862816D+01 -0.371796D+02 -0.381614D+01
      6   0.114725D+02  0.247760D-01  0.951235D+01 -0.119808D+02  0.191768D+01
               146           147           148           149           150 
      1  -0.459842D+01 -0.518524D+01 -0.126410D+02 -0.982818D+01 -0.300229D+01
      2   0.244756D+01  0.522498D+00  0.783840D+01  0.131973D+02 -0.275574D+01
      3   0.215085D+01  0.466274D+01  0.480259D+01 -0.336912D+01  0.575803D+01
      4   0.325873D+01  0.852722D+00  0.114563D+02 -0.470201D+02 -0.133245D+02
      5   0.217159D+01 -0.127139D+01  0.135996D+02 -0.123724D+02 -0.167074D+02
      6  -0.144470D+00  0.250762D-01 -0.443041D+01  0.259022D+02  0.112768D+02
               151           152           153           154           155 
      1  -0.735846D+00 -0.194449D+01 -0.657662D+01  0.194111D+03 -0.303122D+02
      2  -0.377474D+00 -0.345118D+00  0.762070D+00 -0.909346D+02  0.935537D+01
      3   0.111332D+01  0.228961D+01  0.581455D+01 -0.103176D+03  0.209569D+02
      4   0.162321D+01 -0.563667D+01 -0.499342D+01 -0.427505D+02  0.387695D+02
      5   0.827221D+00 -0.504007D+01 -0.370757D+01  0.336828D+02 -0.722811D+01
      6  -0.125750D+01  0.753650D+01  0.332958D+01 -0.553652D+01  0.423753D+01
               156           157           158           159           160 
      1   0.726097D+01 -0.409756D+02  0.349505D+02 -0.858301D+00  0.637794D+01
      2  -0.855644D+01  0.132045D+02 -0.933981D+01  0.175522D+01 -0.719566D+01
      3   0.129547D+01  0.277711D+02 -0.256106D+02 -0.896915D+00  0.817718D+00
      4  -0.368257D+01  0.544609D+02 -0.382807D+02  0.308077D+01 -0.290529D+01
      5   0.396714D+02 -0.921553D+01  0.798293D+01 -0.134875D+02  0.328583D+02
      6  -0.233764D+01  0.953873D+01 -0.650149D+01  0.588422D+01 -0.410247D+01
               161           162           163           164           165 
      1  -0.102482D+01  0.174324D+02  0.556340D+02 -0.984715D+01  0.166423D+02
      2   0.127289D+01 -0.124843D+02 -0.395869D+02  0.403562D+01 -0.108766D+02
      3  -0.248066D+00 -0.494809D+01 -0.160471D+02  0.581153D+01 -0.576579D+01
      4   0.177060D-01 -0.717018D+01 -0.107214D+02  0.904032D+01  0.138415D+01
      5  -0.817875D+01  0.364883D+01  0.361463D+02 -0.706928D+00  0.207479D+02
      6   0.478964D+01 -0.171063D+01 -0.377359D+01  0.169837D+01  0.618741D+00
               166           167           168           169           170 
      1  -0.197542D+02 -0.635457D+01  0.414691D+00 -0.789399D+01  0.852673D+00
      2   0.107609D+02  0.131575D+01  0.630180D+00  0.890659D+00 -0.129778D+01
      3   0.899337D+01  0.503882D+01 -0.104487D+01  0.700333D+01  0.445110D+00
      4   0.702216D+01  0.147757D+01  0.122195D+02  0.576061D+01  0.554039D+01
      5  -0.783262D+01  0.121862D+02 -0.314321D+01  0.140474D+02  0.502571D+01
      6   0.181919D+01  0.725515D+00  0.119746D+02  0.362425D+01  0.117733D+02
               171           172           173           174           175 
      1  -0.370625D+02 -0.518644D+02  0.808906D+01  0.720366D+01  0.155257D+02
      2  -0.134091D+02  0.331739D+02 -0.389949D+01  0.591046D+01 -0.102977D+02
      3   0.504716D+02  0.186905D+02 -0.418957D+01 -0.131141D+02 -0.522800D+01
      4   0.753362D+01  0.764968D+01 -0.566684D+01 -0.131186D+01 -0.949589D+00
      5   0.466835D+02 -0.276587D+02  0.117351D+01 -0.176613D+02  0.745218D+01
      6   0.469216D+01  0.306664D+01 -0.436831D+01 -0.194088D+01 -0.688089D+00
               176           177           178           179           180 
      1  -0.719875D+01 -0.214682D+01 -0.108839D+02  0.147989D+00 -0.106303D+02
      2   0.420256D+01 -0.127368D+01  0.135880D+02 -0.520987D+00  0.522529D+01
      3   0.299620D+01  0.342051D+01 -0.270411D+01  0.372998D+00  0.540504D+01
      4   0.286362D+01  0.394333D+01  0.245935D+01 -0.166794D+00  0.131890D+01
      5   0.249003D+01  0.578354D+01 -0.125605D+02  0.843768D+00 -0.304102D+01
      6   0.277643D+01  0.412885D+01 -0.109279D+01  0.135864D+01  0.975972D+00
               181           182           183           184           185 
      1   0.279937D+02  0.503418D+02  0.707989D+00 -0.367324D+02  0.125638D+02
      2  -0.139471D+02 -0.409944D+02 -0.221960D+00  0.304174D+02 -0.189557D+02
      3  -0.140466D+02 -0.934743D+01 -0.486029D+00  0.631494D+01  0.639196D+01
      4   0.274328D+01  0.401868D+02 -0.319827D+01 -0.523479D+01  0.362731D+02
      5   0.585415D+01 -0.597277D+01  0.150129D+02  0.926574D-01  0.179001D+01
      6  -0.429226D+01  0.210561D+01 -0.116441D+02  0.128435D+01 -0.176795D+01
               186           187           188           189           190 
      1   0.159369D+01  0.153292D+01 -0.670078D+01  0.392000D+01  0.109284D+03
      2  -0.194381D+01  0.101991D+01  0.352073D+01 -0.756629D+01 -0.545867D+02
      3   0.350128D+00 -0.255283D+01  0.318005D+01  0.364629D+01 -0.546969D+02
      4   0.190713D+01 -0.541834D+01 -0.292709D+00 -0.250126D+02  0.895123D+01
      5  -0.816701D+01  0.358423D+02 -0.207105D+02 -0.354453D+01  0.334106D+01
      6   0.261688D+01 -0.239083D+02  0.148869D+02  0.373574D+01 -0.165959D+01
               191           192           193           194           195 
      1   0.107351D+01 -0.568644D+01 -0.485156D+02 -0.361419D+02  0.208736D+01
      2  -0.130975D+02  0.932426D+00  0.119279D+02  0.417426D+02  0.661132D+00
      3   0.120240D+02  0.475401D+01  0.365877D+02 -0.560074D+01 -0.274849D+01
      4   0.205664D+02 -0.383727D+00 -0.394381D+02 -0.625614D+02  0.137612D+01
      5   0.501359D+00  0.532812D+01 -0.425144D+00  0.744599D-01 -0.141145D+01
      6   0.119014D+01 -0.322287D+01  0.275114D+01  0.962287D+00 -0.768695D+01
               196           197           198           199           200 
      1  -0.195484D+01 -0.206627D+01  0.228830D+02 -0.112333D+03 -0.224811D+02
      2   0.122037D+01  0.242859D+01 -0.207592D+02  0.396979D+02  0.235078D+02
      3   0.734474D+00 -0.362318D+00 -0.212379D+01  0.726347D+02 -0.102667D+01
      4  -0.299352D+01 -0.264474D+01 -0.155900D+00 -0.339728D+02 -0.312692D+02
      5   0.494828D+02 -0.462907D+01 -0.401569D+01  0.272261D+01  0.315338D+01
      6  -0.108246D+01  0.445489D+01 -0.354130D+00  0.423689D+01  0.783559D+00
               201           202           203           204           205 
      1   0.670707D+01  0.818143D+02  0.154042D+02 -0.405262D+01  0.102309D+02
      2  -0.259497D+01 -0.489389D+02 -0.235343D+02  0.208190D+01 -0.475558D+01
      3  -0.411210D+01 -0.328754D+02  0.813015D+01  0.197072D+01 -0.547530D+01
      4   0.340626D+01  0.275093D+02  0.193171D+02 -0.170897D+01  0.527675D+01
      5   0.626258D+01 -0.164570D+01 -0.525770D+00  0.123556D+02  0.231256D+01
      6   0.716531D+00 -0.190649D+01 -0.731836D+00  0.803389D+01  0.216032D+01
               206           207           208           209           210 
      1   0.511974D+01 -0.169745D+02  0.461350D+02 -0.582775D+01 -0.408892D+00
      2  -0.403032D+01 -0.191900D+01 -0.280846D+02  0.654806D+01  0.231974D+01
      3  -0.108941D+01  0.188935D+02 -0.180504D+02 -0.720310D+00 -0.191084D+01
      4   0.308413D+01  0.174724D+02 -0.123400D+02  0.103260D+02  0.454701D+00
      5   0.216935D+02  0.359354D+01 -0.433560D+01  0.110953D-02  0.205911D+02
      6   0.103662D+02 -0.126320D+00  0.862863D+00 -0.145693D+01  0.387110D+01
               211           212           213           214           215 
      1  -0.860503D+01  0.103393D+02  0.303375D+01 -0.121618D+01 -0.274681D-01
      2   0.687450D+01 -0.491153D+01 -0.149013D+01  0.210503D+01 -0.675631D+00
      3   0.173052D+01 -0.542780D+01 -0.154362D+01 -0.888856D+00  0.703099D+00
      4   0.397831D+02 -0.113398D+02 -0.227502D+01  0.105214D+01 -0.516912D+00
      5   0.247446D+01 -0.619638D+00  0.158915D+02  0.152979D+02 -0.406539D+01
      6  -0.783444D+00 -0.390289D-01  0.136740D+02 -0.102897D+01  0.450521D+01
               216           217           218           219           220 
      1   0.692619D+01 -0.881780D+02 -0.220118D+01  0.124268D+02  0.706361D+01
      2  -0.377050D+01  0.498915D+02  0.448157D+01 -0.681038D+01 -0.781409D+00
      3  -0.315568D+01  0.382865D+02 -0.228039D+01 -0.561645D+01 -0.628220D+01
      4  -0.501851D+01  0.313170D+01  0.251264D+02 -0.289662D+01 -0.123065D+02
      5  -0.337798D+01  0.109924D+02 -0.325758D+01  0.186601D+02 -0.632995D+01
      6   0.401231D+00  0.414483D+00 -0.261035D+01  0.767702D+01 -0.164662D+01
               221           222           223           224           225 
      1   0.125414D+02 -0.101881D+02  0.897554D+01 -0.642769D+01  0.232488D+02
      2  -0.628959D+01  0.325795D+01 -0.521047D+01  0.216483D+01 -0.185387D+02
      3  -0.625180D+01  0.693014D+01 -0.376507D+01  0.426286D+01 -0.471009D+01
      4  -0.137252D+01  0.708490D+00 -0.491920D+01 -0.218792D+01 -0.410601D+02
      5   0.230284D+00 -0.662264D+02 -0.860947D+01 -0.440022D+02 -0.755005D+01
      6   0.146257D+01 -0.273502D+02 -0.103682D+02 -0.205634D+02  0.251753D+00
               226           227           228           229           230 
      1  -0.652584D+01 -0.158031D+02  0.492159D+00 -0.533247D+01 -0.569218D+02
      2   0.790636D+01  0.173521D+02 -0.292315D+00  0.516633D+01  0.746948D+02
      3  -0.138052D+01 -0.154901D+01 -0.199844D+00  0.166139D+00 -0.177729D+02
      4   0.779507D+00  0.465510D+01  0.233937D+00  0.389800D+01 -0.222039D+02
      5   0.367573D+00  0.682704D+00  0.940956D+00  0.621926D-01  0.209518D+01
      6  -0.285138D+00 -0.873626D+00  0.216464D+01  0.178604D+00 -0.102659D+01
               231           232           233           234           235 
      1  -0.544344D+00  0.721513D+00  0.154998D+00 -0.109089D+01  0.365888D+02
      2   0.647330D+00 -0.487363D+00  0.130524D+00  0.183963D+01 -0.726390D+01
      3  -0.102986D+00 -0.234150D+00 -0.285522D+00 -0.748740D+00 -0.293249D+02
      4   0.661351D-01 -0.391078D-01 -0.663728D+00  0.725119D+00 -0.528450D+02
      5  -0.244882D+01  0.235962D+01  0.236117D+00 -0.232061D+00 -0.346914D+01
      6   0.850905D+01 -0.719129D+00  0.335414D+01  0.455086D-01  0.272904D+01
               236           237           238           239           240 
      1  -0.185904D+02 -0.236539D+01 -0.181699D+02  0.833193D+01  0.748410D+00
      2  -0.209219D+01  0.634355D+00 -0.706368D+01  0.165882D+02  0.830338D+00
      3   0.206826D+02  0.173103D+01  0.252336D+02 -0.249201D+02 -0.157875D+01
      4   0.429083D+02  0.432627D+01  0.497473D+02 -0.550631D+02 -0.435591D+01
      5   0.223417D+01  0.753789D+01  0.226087D+01 -0.199309D+01 -0.702762D+01
      6  -0.210574D+01 -0.441662D+01 -0.228946D+01  0.282366D+01  0.595326D+01
               241           242           243           244           245 
      1  -0.353131D+01  0.146269D+01 -0.310278D+00  0.788490D+01  0.977822D+01
      2   0.578547D+00  0.503119D+00  0.110213D+01 -0.187082D+01 -0.311466D+01
      3   0.295276D+01 -0.196581D+01 -0.791849D+00 -0.601408D+01 -0.666356D+01
      4   0.545971D+01 -0.458413D+01 -0.362948D+01  0.153015D+02  0.130876D+02
      5  -0.491212D-01 -0.253002D+01 -0.100603D+01 -0.171252D+00 -0.421011D+00
      6   0.751201D+00  0.255193D+01  0.668708D+00 -0.106011D+00 -0.426358D+00
               246           247           248           249           250 
      1  -0.338194D+00  0.113504D+02 -0.755640D+01 -0.573125D+00 -0.310257D+00
      2   0.186186D+00  0.698953D+00  0.200961D+02  0.400766D-01  0.202318D+00
      3   0.152008D+00 -0.120494D+02 -0.125397D+02  0.533048D+00  0.107939D+00
      4  -0.879344D+00  0.247747D+02  0.409459D+02 -0.525157D+00 -0.610775D+00
      5   0.115150D+01  0.169879D+00  0.151213D+01  0.439703D+01  0.532409D+00
      6   0.336640D+00 -0.275671D-01  0.143268D+00  0.487319D+01  0.165793D+01
               251           252           253           254           255 
      1  -0.112179D+01 -0.132175D+01  0.347651D+01  0.313370D+01  0.789002D+01
      2   0.662618D+00  0.198372D+01 -0.182720D+01 -0.289301D+01 -0.361958D+01
      3   0.459174D+00 -0.661969D+00 -0.164931D+01 -0.240689D+00 -0.427044D+01
      4  -0.661892D-02 -0.146696D+00 -0.233744D+01 -0.397258D+01  0.145345D+01
      5  -0.102423D+01 -0.242237D-01  0.567954D+01  0.321239D-01 -0.741866D+01
      6   0.125494D+01  0.396321D-01  0.178624D+01 -0.707804D+00 -0.429977D+01
               256           257           258           259           260 
      1   0.767702D+01 -0.208311D+00  0.265057D+00  0.281808D+02  0.604506D+01
      2  -0.466576D+00  0.815782D+01  0.472790D+01 -0.131082D+02  0.167591D+01
      3  -0.721045D+01 -0.794950D+01 -0.499295D+01 -0.150726D+02 -0.772098D+01
      4   0.222058D+02  0.290130D+02  0.197373D+02  0.278653D+02  0.283132D+02
      5   0.132890D+02  0.206864D+02  0.270692D+02  0.267653D+02  0.295252D+02
      6   0.578253D+01  0.101760D+02  0.130367D+02  0.111732D+02  0.145665D+02
               261           262           263           264           265 
      1  -0.404723D+01  0.203357D+03  0.149066D+02 -0.126663D+02 -0.114667D+02
      2   0.907321D-01 -0.105220D+03 -0.475031D+01  0.748400D+01  0.924709D+01
      3   0.395649D+01 -0.981376D+02 -0.101563D+02  0.518232D+01  0.221957D+01
      4   0.275750D+02  0.384969D+02  0.192301D+02 -0.238284D+01  0.169056D+02
      5   0.511817D+02 -0.152434D+02 -0.110085D+01  0.190734D+02  0.731366D+00
      6   0.183500D+02 -0.229015D+01 -0.842964D+00  0.321283D+01 -0.729423D+00
               266           267           268           269           270 
      1   0.145239D+02  0.109288D+01 -0.135425D+02 -0.489522D+00  0.136082D+02
      2  -0.691395D+01 -0.855667D+00  0.812161D+01  0.139451D+00 -0.781190D+01
      3  -0.760995D+01 -0.237213D+00  0.542091D+01  0.350071D+00 -0.579634D+01
      4  -0.221293D+00 -0.140861D+01 -0.262625D+01 -0.163880D+01  0.601476D+01
      5  -0.158909D+01  0.794739D+00  0.218898D+02  0.522596D+01 -0.406818D+01
      6  -0.143285D+00  0.186104D+01  0.299840D+01  0.300835D+01 -0.709936D+00
               271           272           273           274           275 
      1  -0.403177D+01  0.368351D+01 -0.117227D+02  0.589814D+01 -0.622570D+01
      2   0.143505D+01 -0.396187D+01  0.489311D+01 -0.863958D+00  0.108096D+02
      3   0.259672D+01  0.278368D+00  0.682959D+01 -0.503418D+01 -0.458386D+01
      4  -0.643727D+01 -0.841385D+01  0.316771D+01  0.191551D+02  0.299403D+02
      5  -0.395300D+01  0.428549D+01 -0.126323D+02 -0.100001D+02 -0.211388D+02
      6  -0.783384D+00  0.389856D+01 -0.712711D+01 -0.556091D+01 -0.133056D+02
               276           277           278           279 
      1   0.668537D+01 -0.223000D+02  0.194751D+01 -0.117820D+02
      2  -0.693374D+01  0.110500D+02 -0.384469D+01  0.154720D+01
      3   0.248370D+00  0.112500D+02  0.189718D+01  0.102348D+02
      4  -0.215139D+02 -0.205209D+02 -0.257191D+02  0.278036D+02
      5   0.282371D+02  0.214832D+02  0.288308D+02 -0.450232D+02
      6   0.154942D+02  0.101167D+02  0.164840D+02 -0.200360D+02
 Leave Link  716 at Tue Aug 17 00:23:51 2021, MaxMem=  5637144576 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.312355D+03 -0.866454D+01 -0.132781D+02
      2  -0.866454D+01  0.176957D+03  0.210646D+01
      3  -0.132781D+02  0.210646D+01  0.125057D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.343207D+01 -0.254221D+02  0.381018D+01
      2   0.479913D+02  0.803739D+00  0.348474D+02
      3   0.845576D+02  0.703114D+02 -0.276667D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.291290D+03 -0.933324D+02  0.439288D+02
      2   0.914007D+02  0.713510D+02  0.469235D+01
      3   0.199889D+03  0.219814D+02 -0.486212D+02
      4  -0.904878D+02 -0.176733D+03 -0.779047D+00
      5  -0.314139D+02 -0.287809D+01  0.824475D+02
      6  -0.358146D+01 -0.461956D+02 -0.140068D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.346578D+02 -0.192517D+01 -0.203903D+01  0.479152D+02 -0.759552D+01
      2  -0.192517D+01 -0.376013D+00  0.320621D+00 -0.759552D+01  0.890785D+01
      3  -0.203903D+01  0.320621D+00 -0.863272D-01 -0.363394D+01  0.763259D+00
                 6             7             8             9            10 
      1  -0.363394D+01 -0.138462D+01 -0.270499D-01  0.120805D+01 -0.386408D+02
      2   0.763259D+00 -0.270499D-01  0.149879D+00  0.139747D+01  0.275601D+01
      3  -0.324559D+00  0.120805D+01  0.139747D+01 -0.886251D-01  0.234203D+01
                11            12            13            14            15 
      1   0.275601D+01  0.234203D+01 -0.480759D+02  0.689234D+01  0.373195D+01
      2  -0.413835D+01 -0.231238D+00  0.689234D+01 -0.718800D+01 -0.814470D+00
      3  -0.231238D+00  0.306313D+00  0.373195D+01 -0.814470D+00  0.339990D+00
                16            17            18            19            20 
      1   0.206066D+01 -0.162894D+00 -0.119198D+01 -0.446570D+02  0.499580D+01
      2  -0.162894D+00  0.288354D+00 -0.123363D+01  0.499580D+01 -0.410994D+01
      3  -0.119198D+01 -0.123363D+01 -0.272492D-01  0.200261D+01 -0.283807D+00
                21            22            23            24            25 
      1   0.200261D+01  0.200547D+02 -0.227083D+01 -0.199093D+00  0.453630D+01
      2  -0.283807D+00 -0.227083D+01  0.265242D+01  0.276433D+00  0.152804D+00
      3  -0.504186D+00 -0.199093D+00  0.276433D+00  0.229246D+01  0.153997D+01
                26            27            28            29            30 
      1   0.152804D+00  0.153997D+01  0.513811D+02 -0.272696D+01 -0.132413D+01
      2   0.156259D+00  0.362890D+01 -0.272696D+01  0.379460D+01  0.236864D+00
      3   0.362890D+01 -0.182615D-01 -0.132413D+01  0.236864D+00  0.229554D+01
                31            32            33            34            35 
      1  -0.603115D+01  0.139315D+01  0.290638D+00 -0.703877D+00  0.142516D+00
      2   0.139315D+01 -0.670533D+01 -0.647221D+00  0.142516D+00 -0.908264D+00
      3   0.290638D+00 -0.647221D+00 -0.580391D+00  0.659970D+01 -0.554375D+00
                36            37            38            39            40 
      1   0.659970D+01  0.744837D+01 -0.668533D+00 -0.377209D+00 -0.925214D+01
      2  -0.554375D+00 -0.668533D+00  0.824177D+01  0.365210D+00  0.106530D+01
      3  -0.863019D+00 -0.377209D+00  0.365210D+00  0.200136D+01 -0.123229D+00
                41            42            43            44            45 
      1   0.106530D+01 -0.123229D+00 -0.115634D+01 -0.173965D+00  0.412068D+01
      2   0.302494D+01  0.175651D+00 -0.173965D+00 -0.623388D+00 -0.246087D+01
      3   0.175651D+00 -0.106970D+01  0.412068D+01 -0.246087D+01 -0.124623D+01
                46            47            48            49            50 
      1  -0.100604D+02  0.137578D+01  0.105132D+01 -0.200080D+01  0.168859D+01
      2   0.137578D+01 -0.520304D+01 -0.934391D+00  0.168859D+01 -0.229449D+00
      3   0.105132D+01 -0.934391D+00 -0.167513D+01  0.130445D+00 -0.377280D-01
                51            52            53            54            55 
      1   0.130445D+00  0.611484D+00 -0.457857D+00 -0.937299D+00  0.122792D+02
      2  -0.377280D-01 -0.457857D+00  0.604918D+00 -0.389256D+01 -0.386179D+01
      3  -0.143424D+01 -0.937299D+00 -0.389256D+01 -0.189050D+00 -0.935840D+00
                56            57            58            59            60 
      1  -0.386179D+01 -0.935840D+00  0.213860D+00 -0.155505D+01  0.137790D+00
      2   0.991795D+01  0.686305D+00 -0.155505D+01 -0.332846D+00 -0.109720D-01
      3   0.686305D+00  0.190561D+01  0.137790D+00 -0.109720D-01  0.162857D+01
                61            62            63            64            65 
      1  -0.102186D+01  0.611814D+00  0.844929D+00  0.105812D+01  0.219357D+01
      2   0.611814D+00 -0.106872D+01  0.397207D+01  0.219357D+01  0.160648D+01
      3   0.844929D+00  0.397207D+01 -0.197872D+00 -0.768371D-01 -0.160280D+00
                66            67            68            69            70 
      1  -0.768371D-01  0.262782D+01  0.305904D+01 -0.141143D+00 -0.287485D+00
      2  -0.160280D+00  0.305904D+01  0.774311D+01 -0.260015D+00 -0.155763D+00
      3   0.197626D+00 -0.141143D+00 -0.260015D+00  0.885186D+00 -0.125107D+00
                71            72            73            74            75 
      1  -0.155763D+00 -0.125107D+00  0.624027D+01 -0.295001D+01 -0.650584D+00
      2  -0.604149D-01  0.171148D+00 -0.295001D+01  0.274150D+01  0.273202D+00
      3   0.171148D+00 -0.651301D-01 -0.650584D+00  0.273202D+00  0.614560D+00
                76            77            78            79            80 
      1  -0.409756D+01  0.409012D+01  0.455231D+00 -0.796505D+00  0.245661D+00
      2   0.409012D+01 -0.502238D+01 -0.462182D+00  0.245661D+00 -0.234776D+00
      3   0.455231D+00 -0.462182D+00 -0.790371D+00 -0.275530D+00 -0.258675D+00
                81            82            83            84            85 
      1  -0.275530D+00 -0.101210D+01 -0.151204D+01  0.359370D-01 -0.823936D+00
      2  -0.258675D+00 -0.151204D+01 -0.219497D+01  0.491021D-01 -0.140715D+01
      3   0.532738D-02  0.359370D-01  0.491021D-01 -0.181641D+00 -0.729142D-01
                86            87            88            89            90 
      1  -0.140715D+01 -0.729142D-01  0.195322D+00  0.102133D+00  0.634530D-01
      2  -0.100875D+02 -0.157050D+00  0.102133D+00 -0.272046D-02 -0.202286D+00
      3  -0.157050D+00 -0.963196D+00  0.634530D-01 -0.202286D+00 -0.389894D-02
                91            92            93            94            95 
      1  -0.186993D+02  0.174137D+01 -0.673592D-01  0.160920D+01 -0.574841D+00
      2   0.174137D+01 -0.322682D+00 -0.830662D-01 -0.574841D+00 -0.500721D+01
      3  -0.673592D-01 -0.830662D-01 -0.308279D+01 -0.118629D+01 -0.791004D-01
                96            97            98            99           100 
      1  -0.118629D+01 -0.836693D+00 -0.338446D+00 -0.756860D+01 -0.693802D+01
      2  -0.791004D-01 -0.338446D+00 -0.426584D+00  0.107579D+01 -0.228112D+01
      3   0.923983D+00 -0.756860D+01  0.107579D+01 -0.170330D+00  0.159864D+01
               101           102           103           104           105 
      1  -0.228112D+01  0.159864D+01 -0.624401D+01  0.563331D+00  0.769756D+00
      2   0.167376D+00 -0.345094D+00  0.563331D+00  0.447141D+01  0.130557D+01
      3  -0.345094D+00  0.322243D+01  0.769756D+00  0.130557D+01 -0.255858D+01
               106           107           108           109           110 
      1  -0.474822D+01  0.420824D+00  0.528275D+01 -0.714137D+01  0.260035D+01
      2   0.420824D+00  0.658768D+00 -0.208004D+01  0.260035D+01 -0.574370D+00
      3   0.528275D+01 -0.208004D+01 -0.202463D-01 -0.383437D+00  0.508403D+00
               111           112           113           114           115 
      1  -0.383437D+00  0.186240D+01 -0.403989D+00  0.808651D+00  0.984088D+01
      2   0.508403D+00 -0.403989D+00  0.796322D+00  0.178935D+00 -0.629913D+00
      3   0.106575D+01  0.808651D+00  0.178935D+00 -0.552966D+00  0.499528D+01
               116           117           118           119           120 
      1  -0.629913D+00  0.499528D+01 -0.123596D+01  0.129086D+01  0.188507D-01
      2   0.120292D+01 -0.663482D+00  0.129086D+01  0.800067D+00 -0.892481D-01
      3  -0.663482D+00  0.377099D+00  0.188507D-01 -0.892481D-01  0.882640D+00
               121           122           123           124           125 
      1   0.344168D+01  0.195548D+01 -0.801098D-01  0.719683D+00 -0.404550D-01
      2   0.195548D+01  0.660668D+01 -0.322994D+00 -0.404550D-01 -0.443775D-01
      3  -0.801098D-01 -0.322994D+00  0.155197D+01  0.120186D+01  0.839209D+00
               126           127           128           129           130 
      1   0.120186D+01  0.150030D+02  0.130742D+01 -0.349111D+01  0.302978D+01
      2   0.839209D+00  0.130742D+01  0.121032D+01 -0.197559D+00  0.142891D+01
      3  -0.309135D+00 -0.349111D+01 -0.197559D+00  0.235430D+01 -0.876579D+00
               131           132           133           134           135 
      1   0.142891D+01 -0.876579D+00 -0.871864D+00 -0.183062D+00  0.104061D+01
      2   0.272476D+00 -0.504075D+00 -0.183062D+00 -0.144954D-01  0.377532D+00
      3  -0.504075D+00  0.910099D+00  0.104061D+01  0.377532D+00 -0.488355D+00
               136           137           138           139           140 
      1  -0.557311D+00  0.507853D+00 -0.753168D+00  0.133955D+01  0.120272D-01
      2   0.507853D+00 -0.645947D+00  0.518964D+00  0.120272D-01  0.748196D+00
      3  -0.753168D+00  0.518964D+00 -0.314058D+01 -0.229568D+00 -0.152802D+01
               141           142           143           144           145 
      1  -0.229568D+00 -0.639292D+00 -0.298531D-01 -0.338909D+00  0.525832D+00
      2  -0.152802D+01 -0.298531D-01 -0.135271D+01  0.154966D+01 -0.635185D+00
      3   0.282579D+01 -0.338909D+00  0.154966D+01 -0.693726D+01 -0.749724D-01
               146           147           148           149           150 
      1  -0.635185D+00 -0.749724D-01 -0.269817D+01  0.867888D+00  0.107950D+01
      2   0.101952D+00  0.349787D-01  0.867888D+00 -0.605166D+01 -0.172034D+01
      3   0.349787D-01 -0.519935D+00  0.107950D+01 -0.172034D+01 -0.219370D+01
               151           152           153           154           155 
      1   0.180824D+00  0.205595D+00 -0.136002D+00  0.196428D+02 -0.347922D+01
      2   0.205595D+00 -0.742733D+00 -0.702384D+00 -0.347922D+01  0.198744D+01
      3  -0.136002D+00 -0.702384D+00 -0.743180D+00  0.107410D+01 -0.367394D+00
               156           157           158           159           160 
      1   0.107410D+01 -0.589550D+01  0.465684D+01 -0.572207D+00  0.122462D+01
      2  -0.367394D+00  0.465684D+01 -0.303511D+01  0.277241D+00 -0.325914D+00
      3   0.307235D+01 -0.572207D+00  0.277241D+00 -0.109322D+01  0.228008D+01
               161           162           163           164           165 
      1  -0.325914D+00  0.228008D+01  0.138777D+02 -0.142464D+01  0.425154D+01
      2  -0.438317D+00 -0.779411D+00 -0.142464D+01  0.180637D+00  0.267660D+00
      3  -0.779411D+00 -0.325340D+00  0.425154D+01  0.267660D+00  0.118118D+01
               166           167           168           169           170 
      1  -0.434813D+01  0.247662D+00 -0.714423D+00  0.506007D+00  0.725060D+00
      2   0.247662D+00  0.202755D+00  0.156865D+01  0.725060D+00  0.550434D+00
      3  -0.714423D+00  0.156865D+01 -0.515250D+00  0.583331D+00  0.457925D+00
               171           172           173           174           175 
      1   0.583331D+00 -0.114233D+02  0.976647D+00 -0.227980D+01  0.325853D+01
      2   0.457925D+00  0.976647D+00 -0.403490D+00 -0.258958D+00 -0.164540D-01
      3   0.777347D+01 -0.227980D+01 -0.258958D+00 -0.316199D+01  0.651390D+00
               176           177           178           179           180 
      1  -0.164540D-01  0.651390D+00 -0.643979D+01  0.644647D-01 -0.235476D+01
      2   0.672410D+00  0.830431D+00  0.644647D-01  0.103129D+01  0.248677D+00
      3   0.830431D+00  0.111044D+01 -0.235476D+01  0.248677D+00  0.524074D+00
               181           182           183           184           185 
      1  -0.122828D+02  0.173139D+01  0.415170D+00  0.553169D+01  0.903423D+00
      2   0.173139D+01 -0.106538D+02  0.130423D+00  0.903423D+00 -0.555579D+01
      3   0.415170D+00  0.130423D+00 -0.231167D+01 -0.160069D+00 -0.124390D+00
               186           187           188           189           190 
      1  -0.160069D+00  0.278781D+00  0.269646D+00 -0.501245D+01 -0.347115D+02
      2  -0.124390D+00  0.269646D+00  0.614115D+00  0.322958D+01  0.695032D+00
      3   0.126610D+01 -0.501245D+01  0.322958D+01  0.112765D+01  0.161490D+01
               191           192           193           194           195 
      1   0.695032D+00  0.161490D+01  0.165769D+02 -0.939648D+00 -0.966526D+00
      2  -0.708007D+01 -0.111864D+00 -0.939648D+00  0.130278D+02  0.111508D+00
      3  -0.111864D+00 -0.382455D+01 -0.966526D+00  0.111508D+00  0.307529D+00
               196           197           198           199           200 
      1   0.215557D+01  0.119663D+00 -0.680440D+01  0.416649D+02 -0.380681D+01
      2   0.119663D+00  0.883099D+00  0.471992D+00 -0.380681D+01  0.799322D+01
      3  -0.680440D+01  0.471992D+00  0.132132D+01 -0.280743D+01 -0.219370D-01
               201           202           203           204           205 
      1  -0.280743D+01 -0.178778D+02 -0.662621D+00  0.107269D+01 -0.398161D+01
      2  -0.219370D-01 -0.662621D+00 -0.492655D+01  0.105487D+00 -0.144089D-01
      3   0.362767D+00  0.107269D+01  0.105487D+00 -0.265418D+01  0.288788D+00
               206           207           208           209           210 
      1  -0.144089D-01  0.288788D+00  0.335438D+01  0.102173D+01 -0.226875D+00
      2  -0.645663D+00 -0.366447D+01  0.102173D+01  0.245484D+01  0.819778D-01
      3  -0.366447D+01 -0.295590D+00 -0.226875D+00  0.819778D-01  0.589615D+00
               211           212           213           214           215 
      1   0.934299D-01 -0.278171D+01 -0.192847D+00 -0.374609D+00 -0.958152D-01
      2  -0.278171D+01  0.141485D+01  0.281087D+00 -0.958152D-01 -0.195925D+00
      3  -0.192847D+00  0.281087D+00 -0.112674D+01 -0.652297D+00  0.344025D+00
               216           217           218           219           220 
      1  -0.652297D+00  0.245440D+01 -0.156925D+01 -0.386635D+00 -0.161551D+01
      2   0.344025D+00 -0.156925D+01 -0.306372D+01  0.470627D+00  0.122626D+01
      3   0.542308D-01 -0.386635D+00  0.470627D+00 -0.222584D+01  0.667094D+00
               221           222           223           224           225 
      1   0.122626D+01  0.667094D+00 -0.454401D-01  0.530783D+00  0.112769D+01
      2  -0.771388D+00 -0.339308D+00  0.530783D+00  0.580503D-01  0.439626D+01
      3  -0.339308D+00  0.593451D+01  0.112769D+01  0.439626D+01  0.399699D+00
               226           227           228           229           230 
      1   0.781603D+00  0.126722D+01 -0.435913D-01  0.427244D+00  0.792240D+00
      2   0.126722D+01  0.247970D+01 -0.548185D-01  0.792240D+00  0.106698D+02
      3  -0.435913D-01 -0.548185D-01  0.198242D+00  0.639044D-01  0.764692D-01
               231           232           233           234           235 
      1   0.639044D-01 -0.659804D-01 -0.586133D-01 -0.207984D+00 -0.716823D+01
      2   0.764692D-01 -0.586133D-01  0.303992D-01  0.261024D+00  0.460389D+01
      3   0.984747D+00 -0.207984D+00  0.261024D+00  0.496303D-01  0.637014D+00
               236           237           238           239           240 
      1   0.460389D+01  0.637014D+00  0.532089D+01 -0.508956D+01 -0.464698D+00
      2  -0.406303D+01 -0.410745D+00 -0.508956D+01  0.598441D+01  0.500350D+00
      3  -0.410745D+00 -0.759853D+00 -0.464698D+00  0.500350D+00  0.868115D+00
               241           242           243           244           245 
      1   0.799365D+00 -0.492117D+00  0.229514D+00 -0.132562D+01 -0.205844D+01
      2  -0.492117D+00  0.469356D+00  0.296867D+00 -0.205844D+01 -0.116717D+01
      3   0.229514D+00  0.296867D+00  0.453782D-01  0.429826D-01  0.144056D+00
               246           247           248           249           250 
      1   0.429826D-01 -0.348708D+01 -0.312084D+01  0.127305D+00  0.382402D-02
      2   0.144056D+00 -0.312084D+01 -0.676408D+01  0.767558D-01  0.111518D+00
      3  -0.100446D+00  0.127305D+00  0.767558D-01 -0.684259D+00 -0.312796D-01
               251           252           253           254           255 
      1   0.111518D+00 -0.312796D-01  0.426761D+00  0.527114D+00 -0.562837D+00
      2  -0.658167D-01  0.960078D-01  0.527114D+00  0.491514D+00  0.677177D-01
      3   0.960078D-01 -0.861639D-02 -0.562837D+00  0.677177D-01  0.978957D+00
               256           257           258           259           260 
      1  -0.108771D+01 -0.179367D+01 -0.117376D+01 -0.387783D+01 -0.229117D+01
      2  -0.179367D+01 -0.269648D+01 -0.191032D+01 -0.229117D+01 -0.261538D+01
      3  -0.117376D+01 -0.191032D+01 -0.243921D+01 -0.231882D+01 -0.279579D+01
               261           262           263           264           265 
      1  -0.231882D+01 -0.161206D+02 -0.148646D+01  0.107649D+01  0.110349D+01
      2  -0.279579D+01 -0.148646D+01 -0.114925D+01  0.836037D-01 -0.107242D+01
      3  -0.484365D+01  0.107649D+01  0.836037D-01 -0.127715D+01 -0.900132D-01
               266           267           268           269           270 
      1  -0.107242D+01 -0.900132D-01  0.116812D+01  0.913499D-01 -0.149562D+01
      2   0.170309D+00  0.108004D+00  0.913499D-01  0.123072D+00 -0.485648D+00
      3   0.108004D+00 -0.813466D-01 -0.149562D+01 -0.485648D+00  0.312915D+00
               271           272           273           274           275 
      1   0.117790D+01  0.793572D+00  0.319265D+00 -0.871038D+00 -0.155831D+01
      2   0.793572D+00  0.976475D+00 -0.689313D+00 -0.155831D+01 -0.299199D+01
      3   0.319265D+00 -0.689313D+00  0.162283D+01  0.891069D+00  0.228236D+01
               276           277           278           279 
      1   0.891069D+00  0.295059D+01  0.168346D+01 -0.195563D+01
      2   0.228236D+01  0.168346D+01  0.261936D+01 -0.304051D+01
      3  -0.276758D+01 -0.195563D+01 -0.304051D+01  0.485024D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.236342D+01  0.297433D+01 -0.357924D+00  0.544807D+01 -0.333355D+01
      2   0.797293D+01 -0.816438D-01 -0.695758D+00  0.108653D+02 -0.124315D+01
      3   0.363219D+02  0.267972D+02 -0.184750D+01  0.553450D+02 -0.183319D+02
                 6             7             8             9            10 
      1  -0.763645D+00 -0.437128D+01  0.664948D+01  0.315261D+00 -0.895988D+00
      2   0.139044D+01 -0.196830D+02  0.235752D+01  0.163175D+01 -0.130479D+02
      3  -0.387834D+01 -0.322534D+00 -0.333497D+01  0.221792D+01 -0.221324D+02
                11            12            13            14            15 
      1   0.415805D+01  0.777448D+00  0.253167D+01 -0.539514D+00  0.683118D+00
      2   0.720573D+00 -0.549936D+01 -0.115271D+02  0.129374D+01 -0.608046D-01
      3   0.332051D+02  0.166340D+01  0.413570D+02 -0.208596D+02 -0.352566D+01
                16            17            18            19            20 
      1  -0.356659D+01  0.797758D+01  0.636210D+00 -0.342127D+01 -0.694686D+00
      2  -0.216470D+02  0.157408D+01  0.186307D+01 -0.143450D+02  0.216944D+01
      3   0.322460D+01 -0.378395D+01 -0.182193D+01 -0.468282D+02 -0.183971D+02
                21            22            23            24            25 
      1   0.103666D+01 -0.702302D+00 -0.106355D+01 -0.280531D+01 -0.650603D+01
      2  -0.149613D-01  0.715661D+01 -0.131165D+01  0.200422D+01 -0.168212D+02
      3   0.261461D+01  0.162072D+02 -0.267314D+01 -0.368555D+00  0.316968D+01
                26            27            28            29            30 
      1   0.465607D+00 -0.150009D+01 -0.599492D+00  0.120292D+01 -0.222741D+00
      2   0.694987D+01  0.134615D+01  0.183396D+02 -0.162160D+01  0.568185D+00
      3   0.189240D+01 -0.298341D+01  0.203263D+02  0.537832D+01 -0.712515D+00
                31            32            33            34            35 
      1   0.527784D+01  0.249940D+01  0.247311D+01 -0.201940D+01  0.137374D+02
      2  -0.314295D+00  0.445914D+00 -0.172415D+01 -0.161036D+02  0.165461D+01
      3   0.230311D+02  0.319218D+01  0.641986D+00  0.135864D+01 -0.149930D+01
                36            37            38            39            40 
      1   0.962321D+00 -0.250516D+00 -0.203250D+01  0.423802D+01 -0.107219D+01
      2   0.179192D+01  0.426250D+00 -0.287213D+00  0.198512D+01 -0.447862D+01
      3   0.354478D+01 -0.236394D+02 -0.388212D+01  0.415135D+00 -0.671842D+01
                41            42            43            44            45 
      1  -0.212214D+01 -0.738662D+00  0.147742D+02  0.637771D+01 -0.648771D+00
      2   0.655436D+00 -0.117951D+01 -0.109640D+02 -0.625533D+01  0.122428D+01
      3  -0.844708D+01 -0.141776D+01 -0.772173D+00 -0.145090D+01 -0.442771D+01
                46            47            48            49            50 
      1   0.145943D+01 -0.739692D+00 -0.441590D+01 -0.146127D+01  0.176905D+01
      2  -0.274536D+01 -0.371297D-01  0.133316D+01 -0.331366D+00  0.435557D+00
      3   0.430795D+02 -0.260695D+02 -0.239451D+01 -0.125744D+02  0.208506D+02
                51            52            53            54            55 
      1  -0.256654D+01 -0.811416D+01 -0.207523D+01  0.218352D+01  0.192792D+01
      2  -0.858541D+00 -0.177815D+02 -0.590753D+00  0.774403D+00 -0.893763D+00
      3   0.169844D+01 -0.393377D+01  0.268818D+01  0.551323D+01  0.277877D+02
                56            57            58            59            60 
      1  -0.331776D+01 -0.595727D+01  0.184324D+00  0.193589D+01 -0.307410D+01
      2  -0.134647D+01 -0.530293D+01  0.663319D+00 -0.477975D+00 -0.377795D+01
      3  -0.144096D+02 -0.828774D+00 -0.398251D+00  0.200436D+02  0.241339D+00
                61            62            63            64            65 
      1  -0.704807D+01 -0.336063D+01  0.122534D+01 -0.560782D+00  0.326826D-01
      2  -0.223864D+02 -0.602168D+01  0.185476D+01 -0.673060D-01  0.465626D+00
      3  -0.135030D+01  0.155535D+01  0.122299D+02  0.935784D-01  0.318985D+00
                66            67            68            69            70 
      1  -0.123183D+01 -0.586216D+00 -0.162861D+01 -0.427166D+01  0.120912D+00
      2   0.334278D+00  0.669884D+00  0.530846D+00  0.162396D+01 -0.227090D+01
      3   0.123360D+00  0.549034D+01 -0.480331D+01 -0.224094D-01 -0.997763D-02
                71            72            73            74            75 
      1   0.207589D+01  0.225346D+00 -0.637427D+00 -0.582853D+00  0.287998D+01
      2  -0.723585D+00  0.250252D-02  0.200936D+01 -0.936273D+00  0.172851D+01
      3  -0.197114D+00  0.440084D+00 -0.960437D+01 -0.314671D+00  0.817469D+00
                76            77            78            79            80 
      1  -0.101824D+01  0.142164D+01 -0.296181D+01 -0.188834D+01  0.159485D+01
      2  -0.132508D+01  0.106873D+01 -0.252879D+01 -0.275810D+01  0.128459D+00
      3   0.198851D+01  0.263380D+01  0.540897D-01  0.190671D+01  0.919227D-01
                81            82            83            84            85 
      1   0.617820D-01  0.798893D+00  0.911986D+00 -0.130293D+01  0.392299D+00
      2   0.346907D-02 -0.299569D+00 -0.358368D+00  0.666317D+00 -0.265797D+00
      3   0.462754D+00  0.557142D+01  0.190778D+01 -0.273277D+00  0.568207D+01
                86            87            88            89            90 
      1   0.279042D+01 -0.478266D+01  0.113669D+01  0.205603D+01 -0.385258D-01
      2  -0.525020D+00  0.104450D+01 -0.813151D+00  0.987163D+00  0.605335D-01
      3   0.368983D+01  0.884989D-01 -0.507065D+00 -0.239131D+00 -0.107279D+01
                91            92            93            94            95 
      1  -0.233253D+01  0.774563D+00  0.698671D+00  0.230355D+01  0.195387D+01
      2  -0.134619D+02  0.780618D+00 -0.629728D+01 -0.120288D+01 -0.118664D+01
      3  -0.120681D+02 -0.477648D+01  0.420869D-01  0.105641D+02  0.226386D+02
                96            97            98            99           100 
      1  -0.259417D+01  0.241488D+01  0.348370D+01 -0.580849D+00  0.415680D+01
      2   0.185219D+01 -0.355582D+02  0.392382D+01 -0.357419D+01 -0.120031D+02
      3  -0.332248D+00  0.914503D-01  0.493068D+00 -0.785543D+01  0.148404D+02
               101           102           103           104           105 
      1  -0.226415D+01  0.915607D+00  0.930671D-01 -0.109344D+02 -0.677780D+01
      2  -0.454763D+01  0.206175D+02 -0.351928D+01  0.630147D+01 -0.101939D+02
      3  -0.562534D+01 -0.478987D+00 -0.828725D+00 -0.233355D+02 -0.601278D+01
               106           107           108           109           110 
      1  -0.887027D+00 -0.111607D+01  0.676066D+01  0.683686D+01 -0.187607D+01
      2   0.154018D+02 -0.852715D+01  0.849543D+01  0.148641D+02 -0.127308D+01
      3  -0.351302D+01 -0.469002D+01  0.101392D+02  0.339859D+00  0.135556D+02
               111           112           113           114           115 
      1  -0.891219D+01 -0.120279D+02  0.266029D+01 -0.143902D+02 -0.778707D+01
      2   0.126253D+01 -0.168531D+00  0.137716D+01  0.845984D+01  0.145255D+02
      3   0.155428D+01  0.181229D+02 -0.150333D+02  0.178629D+01  0.757373D+01
               116           117           118           119           120 
      1  -0.475020D+01 -0.295617D+01 -0.630968D+00 -0.685263D+00 -0.345046D+00
      2   0.957558D+00  0.649648D-02 -0.381026D+00  0.380846D+00  0.360957D+01
      3  -0.205966D+00  0.534055D+01 -0.763384D+01 -0.282652D+01  0.139919D+00
               121           122           123           124           125 
      1  -0.911205D+00 -0.356872D+01 -0.270482D+01 -0.311577D+00  0.456109D+00
      2   0.118649D+01  0.353469D+00  0.497188D+01  0.216945D+01  0.241866D+01
      3  -0.997383D+00 -0.235791D+02  0.995664D+00  0.914602D+00  0.862507D-02
               126           127           128           129           130 
      1   0.239615D+00 -0.219074D+01 -0.348132D+01 -0.591274D-01 -0.274828D+01
      2  -0.463903D+00  0.122038D+02  0.170514D+01  0.743612D+01  0.168505D+01
      3  -0.184658D+01 -0.534737D+01 -0.827798D+01  0.800406D+00 -0.501140D+01
               131           132           133           134           135 
      1  -0.506501D-01 -0.180795D+00  0.728021D+00  0.878908D+00 -0.807796D+00
      2   0.244974D+00  0.277758D+01  0.190310D+01  0.764956D+00  0.342856D+00
      3  -0.428789D+00  0.190057D+01  0.495300D+00  0.174877D+01 -0.143049D+01
               136           137           138           139           140 
      1  -0.176674D+01  0.294470D+01 -0.949787D+00  0.104287D+01 -0.201813D+01
      2  -0.668626D+01  0.340275D+01 -0.132211D+02  0.252226D+01 -0.615196D+01
      3  -0.269390D+01  0.256154D+01 -0.195289D+01  0.198591D+01 -0.242647D+01
               141           142           143           144           145 
      1   0.186939D+01 -0.417494D-01  0.498463D+01 -0.348529D+01  0.248360D+01
      2   0.108578D+02 -0.611133D+01  0.671221D+01 -0.277455D+02 -0.230931D+00
      3   0.549418D+01  0.214869D+00  0.456625D+01 -0.605133D+01  0.448248D+01
               146           147           148           149           150 
      1   0.246990D+00 -0.527775D+00 -0.171847D+00  0.140599D+02  0.337474D+00
      2  -0.994622D+00 -0.160579D+01 -0.100816D+01 -0.572832D+01 -0.686517D+01
      3   0.258305D+00 -0.677805D+00  0.151356D+01  0.264094D+02  0.624920D+01
               151           152           153           154           155 
      1  -0.667271D+00  0.245900D+01  0.119192D+01 -0.493874D+01  0.258300D+01
      2  -0.103675D+01 -0.208749D+01 -0.296200D+01 -0.880372D+01  0.107786D+01
      3  -0.197397D+01  0.252301D+01  0.299849D+01  0.127579D+02 -0.224688D+02
               156           157           158           159           160 
      1   0.451416D+01  0.841745D+01 -0.376630D+01 -0.832345D+00  0.169521D+01
      2   0.236271D+02 -0.276160D+01 -0.191067D+01 -0.102168D+02  0.515480D+01
      3   0.387583D+00 -0.186666D+02  0.188066D+02 -0.176947D+01  0.401060D-01
               161           162           163           164           165 
      1   0.295324D+01 -0.689900D+00 -0.840656D+01  0.229055D+01  0.905278D+00
      2  -0.306263D+01 -0.267349D+01 -0.118711D+02  0.462473D+01  0.209583D+01
      3  -0.678895D+00  0.305862D+01  0.114233D+02 -0.456765D+01  0.498867D+00
               166           167           168           169           170 
      1   0.619961D+01  0.438534D-02  0.458848D+01 -0.976164D+00  0.938987D+01
      2   0.707686D+01  0.572489D+01 -0.313853D+01 -0.785184D+01  0.132534D+01
      3  -0.272632D+01 -0.135072D+00 -0.786474D+01 -0.215920D+01 -0.254081D+01
               171           172           173           174           175 
      1  -0.900615D+00  0.821442D+01 -0.266483D+01  0.188703D+01 -0.675308D+01
      2   0.266534D+02  0.231583D+02 -0.388187D+01 -0.710954D+01 -0.622216D+01
      3  -0.197221D+01 -0.916454D+01  0.267443D+01 -0.115242D+01  0.721224D+01
               176           177           178           179           180 
      1   0.549144D+00 -0.254392D+01  0.238222D+01 -0.708597D+00  0.110021D+01
      2   0.348375D+01  0.280410D+01 -0.881890D+00  0.489159D+00  0.343866D+01
      3  -0.104696D+01 -0.102666D+01 -0.450641D+01  0.350078D+00 -0.181770D+01
               181           182           183           184           185 
      1  -0.294035D+00  0.172932D+01  0.617261D+01 -0.112720D+01 -0.143023D+01
      2  -0.125827D+01 -0.110915D+00  0.804745D+01  0.101748D+01  0.161188D+01
      3  -0.243589D+02 -0.875593D+01  0.128992D+01 -0.570334D+01 -0.275632D+02
               186           187           188           189           190 
      1  -0.110578D+01  0.166911D+02  0.648198D+01 -0.241464D+01 -0.136537D+01
      2  -0.259295D+01  0.194856D+01 -0.120538D+02 -0.225236D+01 -0.737071D+01
      3  -0.383716D+00  0.269639D+00 -0.679916D+00 -0.163859D+01 -0.221161D+02
               191           192           193           194           195 
      1   0.424982D+01  0.103572D+01  0.496488D+01 -0.907535D+00  0.402691D+01
      2  -0.361929D+00  0.177731D+01  0.284148D+01 -0.159910D+01 -0.872918D+00
      3   0.186591D+02  0.205692D+01  0.582669D+02  0.238343D+02 -0.413348D+01
               196           197           198           199           200 
      1  -0.299404D+01  0.138216D+02  0.608957D+00  0.311266D+00 -0.301854D+01
      2   0.144158D+01 -0.174877D+01 -0.171797D+01  0.912179D+01  0.296215D-01
      3   0.356839D+01 -0.233921D+01 -0.174672D+00  0.116233D+02 -0.218806D+02
               201           202           203           204           205 
      1  -0.395436D+00 -0.125388D+01  0.103874D+01 -0.332229D+01 -0.111070D+01
      2   0.285710D+01 -0.275805D+01 -0.362380D+00  0.583169D+01 -0.218993D+02
      3  -0.170788D+01 -0.181881D+02 -0.936739D-01  0.202823D+01 -0.251413D+01
               206           207           208           209           210 
      1   0.258337D+01  0.374008D+00  0.122173D+01 -0.400807D+01 -0.132500D+01
      2   0.125892D+02  0.197962D+01  0.699643D+00  0.546664D+00  0.103232D+02
      3   0.207591D+01 -0.609674D+01  0.170747D+02 -0.402572D+02 -0.202448D+01
               211           212           213           214           215 
      1  -0.526732D+00 -0.327769D-01 -0.787955D+01  0.366878D+01 -0.149906D+00
      2   0.846019D+00 -0.686492D+00  0.858782D+01 -0.423364D+01 -0.427083D+01
      3  -0.462962D+01  0.945913D+00  0.973676D+00 -0.193768D+01  0.339279D+01
               216           217           218           219           220 
      1  -0.377605D+00 -0.180933D+01  0.704710D+00 -0.357406D+01  0.592752D+00
      2  -0.608507D+00  0.209490D+01 -0.240776D+01  0.123105D+02 -0.324477D+01
      3   0.108796D+01 -0.335761D+02 -0.135865D+02  0.576628D+01  0.706080D+00
               221           222           223           224           225 
      1   0.129253D+01  0.111081D+02  0.118800D+02  0.124404D+02  0.169977D+01
      2   0.113676D+01 -0.343786D+02 -0.369841D+01 -0.238424D+02 -0.267032D+01
      3   0.196096D+02 -0.178302D+01  0.465465D+01 -0.688104D+00  0.314133D+02
               226           227           228           229           230 
      1   0.282186D+00  0.232487D+00 -0.149675D+01 -0.151861D+00 -0.229238D+00
      2   0.271256D-01  0.117205D+00  0.171867D+00 -0.141444D+00 -0.378041D+00
      3   0.737270D+01  0.619969D+01 -0.397396D+00  0.549715D+01  0.225473D+02
               231           232           233           234           235 
      1  -0.525482D+01  0.802073D+00  0.215402D+01 -0.126037D+00 -0.961987D+00
      2  -0.777657D+00  0.163017D+00  0.622982D-01 -0.104357D+00 -0.151488D+01
      3   0.330310D+00 -0.542109D+00 -0.216160D+00 -0.450605D+00 -0.363797D+00
               236           237           238           239           240 
      1   0.238148D+00  0.283054D+01  0.287742D+00 -0.101984D+00 -0.330525D+01
      2   0.100417D+01  0.405104D+01  0.103559D+01 -0.126774D+01 -0.432842D+01
      3  -0.720026D+01 -0.134192D+00 -0.624499D+01  0.126157D+02  0.891303D+00
               241           242           243           244           245 
      1  -0.272935D+01  0.103345D+01 -0.185244D-03  0.325658D+00  0.304105D+00
      2  -0.305178D+01 -0.116606D+01 -0.186070D+00 -0.357775D+00 -0.557074D+00
      3   0.202102D+00  0.757271D+00  0.153904D+01 -0.739454D+00 -0.160620D+01
               246           247           248           249           250 
      1  -0.611653D+00  0.516404D+00  0.228290D+00 -0.339312D+01 -0.278386D+00
      2   0.274350D+00 -0.584328D+00 -0.324728D+00  0.220186D+01 -0.151808D+01
      3   0.930975D-01  0.657201D+00 -0.162279D+02 -0.200358D+00  0.125961D+00
               251           252           253           254           255 
      1   0.166485D+01  0.559943D-01 -0.431201D+00  0.267996D+00  0.226267D+01
      2  -0.141162D+01  0.906116D-01  0.511281D+01  0.160976D+00 -0.462533D+01
      3  -0.420356D+00  0.549774D+00  0.254953D+00  0.517916D+01  0.188029D+01
               256           257           258           259           260 
      1  -0.139096D+01 -0.305782D+01 -0.562634D+01 -0.448733D+01 -0.305399D+01
      2   0.566795D+01  0.100545D+02  0.136532D+02  0.710569D+01  0.150823D+02
      3  -0.566147D+01 -0.187028D+02 -0.116511D+02 -0.700959D+01 -0.167855D+02
               261           262           263           264           265 
      1  -0.986237D+01  0.107549D+01 -0.471648D+00 -0.171194D+01 -0.252351D+00
      2   0.260077D+02 -0.249359D+01 -0.142122D+00  0.957230D+01  0.273174D+00
      3  -0.187087D+02  0.109346D+02 -0.860620D+01 -0.941577D+00 -0.505398D+01
               266           267           268           269           270 
      1   0.198605D+00 -0.908534D+00 -0.190103D+01 -0.365778D+00  0.194977D+00
      2  -0.352814D+00  0.588265D+00  0.646495D+01  0.246644D+01 -0.152409D+01
      3   0.234980D+01  0.614413D+00 -0.967606D+00  0.929694D+00 -0.209271D+01
               271           272           273           274           275 
      1   0.359900D-01 -0.897854D-02  0.324298D+01  0.541668D+00  0.133027D+01
      2  -0.483705D+01  0.281224D+01 -0.774893D+01 -0.365404D+01 -0.112123D+02
      3   0.314285D+00  0.833480D+01 -0.567226D+01 -0.404694D+01 -0.208109D+02
               276           277           278           279 
      1  -0.483081D+01 -0.294083D+01 -0.166046D+01  0.760580D+01
      2   0.148453D+02  0.461420D+01  0.156498D+02 -0.244460D+02
      3   0.137432D+02  0.420908D+01  0.166770D+02 -0.200941D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.716124D+02  0.231835D+02  0.455484D+01 -0.887794D+02 -0.329060D+01
      2   0.321200D+02 -0.148206D+02 -0.269729D+01  0.353344D+02  0.154967D+02
      3   0.394925D+02 -0.836288D+01 -0.185755D+01  0.534450D+02 -0.122061D+02
      4  -0.867255D+01  0.184883D+02  0.127306D+01  0.112998D+02 -0.236120D+02
      5   0.134300D+01 -0.116305D+01 -0.271319D+01 -0.332295D+01  0.170808D+01
      6   0.652910D+00 -0.149053D+01  0.111876D+01  0.213310D+01 -0.169517D+01
                 6             7             8             9            10 
      1   0.702546D+01  0.521927D+01 -0.156382D+01 -0.100522D+02  0.792472D+02
      2  -0.245031D+01 -0.278614D+01  0.199620D+01 -0.414403D+00 -0.223241D+02
      3  -0.457515D+01 -0.243313D+01 -0.432386D+00  0.104666D+02 -0.569231D+02
      4  -0.141650D+01  0.582907D+00 -0.164643D+01 -0.187002D+01  0.349453D+02
      5   0.442921D+01  0.107870D+01 -0.958196D+00  0.169755D+01 -0.107433D+01
      6  -0.150772D+00  0.328354D+01  0.499750D+01 -0.973632D+00 -0.325757D+01
                11            12            13            14            15 
      1   0.194382D+02 -0.725562D+01  0.973887D+02 -0.211919D+02 -0.758143D+01
      2  -0.148800D+02  0.130475D+01 -0.365684D+02  0.141447D+02  0.332405D+01
      3  -0.455823D+01  0.595088D+01 -0.608202D+02  0.704725D+01  0.425739D+01
      4   0.124765D+02 -0.143680D+01 -0.251251D+02  0.199040D+02  0.180899D+01
      5  -0.110263D+01 -0.130026D+02  0.226848D+01 -0.723825D+00 -0.200526D+01
      6   0.480183D+00 -0.526251D+00 -0.639938D+00  0.213224D+01 -0.203584D+01
                16            17            18            19            20 
      1  -0.498790D+01 -0.159645D+01 -0.599565D+01  0.446825D+02 -0.296274D+02
      2   0.387376D+00  0.108895D+01 -0.265318D+01 -0.124856D+02  0.168461D+02
      3   0.460053D+01  0.507502D+00  0.864883D+01 -0.321969D+02  0.127813D+02
      4  -0.284908D+01 -0.346073D+00  0.488772D+01 -0.214019D+01 -0.245647D+02
      5   0.193918D+01  0.336641D+01  0.265235D+01  0.499228D+00  0.163610D+01
      6   0.256786D+01  0.391074D+01 -0.191847D+00 -0.120692D+01  0.505188D+01
                21            22            23            24            25 
      1  -0.753297D+01  0.140419D+02  0.194638D+02  0.306113D+01 -0.395349D+01
      2   0.357504D+01 -0.264966D+02 -0.248939D+02 -0.210282D+00  0.199457D-01
      3   0.395793D+01  0.124548D+02  0.543015D+01 -0.285085D+01  0.393354D+01
      4   0.107219D+00  0.823793D+01 -0.209441D+01 -0.278361D+00  0.187953D+01
      5  -0.303939D+01 -0.895962D+00 -0.182392D-01  0.782089D+01  0.120318D+02
      6  -0.501116D+00  0.662584D+00 -0.166255D+01  0.563634D+01  0.338644D+01
                26            27            28            29            30 
      1   0.766549D+01 -0.116564D+02  0.186344D+02 -0.512642D+01  0.434535D+01
      2  -0.278499D+01  0.522596D-01 -0.378103D+02  0.486240D+01 -0.817673D+00
      3  -0.488050D+01  0.116041D+02  0.191759D+02  0.264016D+00 -0.352768D+01
      4   0.182807D+01  0.650796D+01 -0.764679D+00  0.134479D+02  0.904116D-01
      5   0.844588D+01  0.226651D+01 -0.651320D+01  0.162740D+01  0.873399D+01
      6   0.131283D+02 -0.231430D+01  0.992796D+00 -0.228129D+01  0.246920D+01
                31            32            33            34            35 
      1   0.405359D+02 -0.472507D+02 -0.106913D+01  0.584757D+01 -0.223139D+01
      2  -0.278446D+02  0.412926D+02  0.143850D+01 -0.677792D+00  0.120568D+01
      3  -0.126913D+02  0.595813D+01 -0.369364D+00 -0.516978D+01  0.102572D+01
      4  -0.276795D+02 -0.160633D+02  0.141184D+00 -0.256277D+01 -0.318506D+00
      5  -0.132059D+01  0.159045D+01 -0.299532D+01  0.331342D+02 -0.356102D+01
      6   0.682688D+00  0.455753D+01 -0.382188D+01  0.402897D+01  0.325882D+01
                36            37            38            39            40 
      1   0.320331D+00 -0.200147D+02  0.531913D+02  0.451178D+01 -0.388895D+02
      2  -0.119293D+02  0.113420D+02 -0.359490D+02 -0.108291D+01  0.395666D+02
      3   0.116090D+02  0.867266D+01 -0.172423D+02 -0.342887D+01 -0.677098D+00
      4  -0.582045D+00  0.250363D+02  0.567365D+01 -0.256957D+01  0.163018D+02
      5  -0.661440D+00  0.478575D-01 -0.431403D+01  0.442685D+01  0.188439D+01
      6  -0.920438D+00 -0.340383D+01 -0.416739D+01 -0.883029D+01 -0.109015D+01
                41            42            43            44            45 
      1   0.258357D+02  0.814075D+00  0.256302D+01 -0.620164D+01 -0.120541D+02
      2  -0.240005D+02 -0.223801D+01  0.299897D+01  0.140006D+01 -0.790885D+00
      3  -0.183524D+01  0.142393D+01 -0.556199D+01  0.480158D+01  0.128449D+02
      4   0.245852D+02  0.414083D+00 -0.376037D+01  0.141053D+01 -0.652907D+01
      5  -0.100563D+01 -0.716842D+01  0.139433D+02 -0.704429D+01 -0.228114D+01
      6  -0.369291D+01  0.171682D+01 -0.169375D+02  0.904942D+01  0.459741D+01
                46            47            48            49            50 
      1   0.259824D+02 -0.431648D+02 -0.623487D+01  0.133420D+02  0.832370D+01
      2  -0.203285D+02  0.281280D+02  0.200991D+01 -0.102129D+02 -0.178430D+02
      3  -0.565393D+01  0.150369D+02  0.422495D+01 -0.312903D+01  0.951929D+01
      4  -0.306467D+02 -0.139710D+02  0.196612D+01  0.175461D+02 -0.924508D+01
      5   0.343070D+01  0.196621D+01  0.106407D+01  0.233224D+00 -0.762019D+00
      6   0.227396D+01  0.616462D+01  0.722914D+01 -0.155223D+01 -0.380010D+00
                51            52            53            54            55 
      1  -0.755572D+00 -0.389323D+01  0.276608D+01 -0.204733D+02 -0.144100D+02
      2  -0.753803D+00  0.240452D+01 -0.488987D+01  0.810527D+01  0.637042D+00
      3   0.150938D+01  0.148871D+01  0.212379D+01  0.123680D+02  0.137730D+02
      4  -0.114862D+01  0.322429D+01  0.289116D+01  0.137532D+01  0.217961D+02
      5  -0.340270D-01  0.389859D+01 -0.360937D-01  0.215615D+01 -0.373644D+01
      6   0.686903D+01  0.284636D+01  0.197504D+02  0.174743D+01  0.121041D+01
                56            57            58            59            60 
      1  -0.331324D+02 -0.265224D+01 -0.105927D+01  0.182867D+02  0.713694D+00
      2   0.298671D+02  0.153877D+01 -0.374612D+01 -0.229918D+02 -0.420121D+00
      3   0.326523D+01  0.111347D+01  0.480539D+01  0.470503D+01 -0.293573D+00
      4  -0.584576D+02 -0.260813D+01  0.147636D+02 -0.926955D+01 -0.448499D-01
      5   0.140151D+01 -0.936122D+01  0.910911D+00 -0.281276D+00 -0.559106D+01
      6   0.304906D+01  0.108689D+02 -0.393417D+00 -0.503704D+00  0.827384D+01
                61            62            63            64            65 
      1  -0.954441D+00  0.284034D+01 -0.269635D+02 -0.104339D+01 -0.402547D+01
      2   0.120271D+01 -0.345907D+01  0.137938D+02  0.522284D+01  0.641223D+01
      3  -0.248267D+00  0.618729D+00  0.131697D+02 -0.417945D+01 -0.238676D+01
      4  -0.222127D+01  0.758209D+01 -0.111101D+02  0.838644D+01  0.117024D+02
      5  -0.141560D+01 -0.155533D+02  0.321523D+01 -0.804903D+00 -0.610887D+00
      6   0.295930D+01  0.241520D+02 -0.171342D+01 -0.116319D+01 -0.144617D+01
                66            67            68            69            70 
      1   0.150472D+00 -0.803833D+01 -0.309808D+02  0.133822D+01 -0.104647D+01
      2  -0.582832D-01  0.123670D+02  0.404989D+02 -0.852096D+00  0.643734D+00
      3  -0.921886D-01 -0.432862D+01 -0.951807D+01 -0.486121D+00  0.402735D+00
      4  -0.420418D+00  0.133378D+02  0.220342D+02 -0.517755D+00 -0.309513D+00
      5   0.148426D+01 -0.605239D+00  0.281881D+00  0.264930D+01 -0.203286D+00
      6   0.157671D+01 -0.169332D+01 -0.484699D+01  0.658890D+01  0.143978D+01
                71            72            73            74            75 
      1  -0.227950D-02 -0.309590D+01  0.704053D+01  0.224084D+01  0.291830D-01
      2  -0.434775D-01  0.331988D+01  0.707898D+00 -0.818619D+01  0.194944D+00
      3   0.457570D-01 -0.223975D+00 -0.774842D+01  0.594534D+01 -0.224127D+00
      4  -0.512958D+00  0.919709D+00 -0.212805D+02  0.177762D+02  0.163443D+01
      5   0.263317D+00 -0.252859D+00 -0.503324D+01  0.202957D+01  0.465588D+01
      6   0.273472D+01 -0.403266D+00  0.293604D+01 -0.249069D+01 -0.271000D+01
                76            77            78            79            80 
      1   0.460654D+01 -0.130868D+02 -0.160594D+01 -0.121387D+01 -0.517719D+00
      2  -0.126081D+02  0.222366D+02  0.116522D+01  0.114172D+00  0.785880D+00
      3   0.800160D+01 -0.914979D+01  0.440721D+00  0.109970D+01 -0.268161D+00
      4   0.234473D+02 -0.254048D+02 -0.212463D+01  0.184369D+01 -0.140772D+01
      5   0.293850D+01 -0.240356D+01 -0.394962D+01  0.485874D+00 -0.135910D+01
      6  -0.366580D+01  0.473809D+01  0.526370D+01  0.690027D+00  0.229793D+01
                81            82            83            84            85 
      1  -0.546815D-01 -0.390659D+01 -0.810890D+01  0.291666D+00 -0.573125D+01
      2   0.834271D+00  0.642433D+01  0.115630D+02 -0.253322D+00  0.727079D+01
      3  -0.779590D+00 -0.251775D+01 -0.345406D+01 -0.383444D-01 -0.153955D+01
      4  -0.232337D+01  0.463303D+01  0.122884D+02  0.250326D+00  0.800969D+01
      5  -0.392188D+00  0.874653D+00  0.123239D+01  0.193402D+01  0.789742D+00
      6   0.508169D+00  0.630464D+00  0.395723D+00  0.172441D+01  0.802709D+00
                86            87            88            89            90 
      1  -0.465885D+02 -0.102246D+01  0.744224D+00  0.120579D+00 -0.193197D+01
      2   0.611080D+02  0.565937D+00 -0.571452D+00 -0.120271D+00  0.212309D+01
      3  -0.145195D+02  0.456518D+00 -0.172772D+00 -0.308550D-03 -0.191116D+00
      4   0.145798D+02  0.389932D+00 -0.161750D+00 -0.679865D+00  0.205811D+01
      5   0.286977D+01  0.123569D+01  0.988481D+00  0.172418D+01  0.463795D-01
      6   0.456079D+01  0.773339D+01 -0.253872D-01  0.312649D+01 -0.191742D-01
                91            92            93            94            95 
      1  -0.156428D+02  0.599283D+01 -0.114431D+02  0.679979D+01  0.976295D+01
      2   0.234821D+02 -0.714363D+01 -0.612434D+00 -0.110350D+02 -0.179721D+02
      3  -0.783936D+01  0.115080D+01  0.120555D+02  0.423519D+01  0.820920D+01
      4   0.713109D+01 -0.126924D+01 -0.101021D+01 -0.399786D+01 -0.412918D+02
      5  -0.830193D+00 -0.222393D+01 -0.208465D+02 -0.142503D+02 -0.102803D+01
      6  -0.200688D+01  0.276494D+01  0.458942D+00 -0.468557D+00  0.560273D+01
                96            97            98            99           100 
      1  -0.696280D+01 -0.513744D+01 -0.599520D+00 -0.251212D+02 -0.676354D+02
      2   0.962254D+01 -0.411736D+01  0.530147D-01  0.190558D+02  0.364802D+02
      3  -0.265974D+01  0.925479D+01  0.546505D+00  0.606542D+01  0.311551D+02
      4  -0.107764D+01 -0.246980D+01 -0.118253D+01  0.673441D+01 -0.241297D+02
      5   0.447490D+01 -0.597019D+02  0.749883D+01  0.410270D+01  0.357257D+02
      6   0.165562D+01  0.164612D+01  0.817756D+00 -0.312968D+01  0.109669D+02
               101           102           103           104           105 
      1  -0.182107D+02  0.309263D+02 -0.293388D+02  0.109233D+02 -0.623455D+01
      2   0.723071D+01 -0.298100D+01  0.209094D+02 -0.713511D+01 -0.955672D+01
      3   0.109800D+02 -0.279453D+02  0.842945D+01 -0.378823D+01  0.157913D+02
      4   0.533127D+01 -0.249829D+00  0.228397D+01  0.377464D+02  0.104079D+02
      5   0.378618D+01  0.171094D+02  0.140641D+02  0.702115D+01 -0.152127D+02
      6  -0.333929D+01  0.211342D+01 -0.159296D+01 -0.180923D+02 -0.628537D+01
               106           107           108           109           110 
      1   0.309943D+01 -0.768468D+01  0.336472D+02 -0.951806D+02  0.197177D+02
      2   0.156842D+02 -0.457860D+01 -0.139894D+02  0.402850D+02 -0.267870D+01
      3  -0.187836D+02  0.122633D+02 -0.196577D+02  0.548955D+02 -0.170390D+02
      4   0.152814D+01  0.690429D+01 -0.146486D+02  0.333205D+02 -0.212253D+02
      5   0.408750D+02 -0.129511D+02 -0.154838D+02 -0.159990D+02  0.848108D+01
      6  -0.197867D+01 -0.358977D+01  0.137144D+02  0.666904D+01 -0.982519D+00
               111           112           113           114           115 
      1  -0.875529D+01  0.334611D+02 -0.127138D+02  0.345466D+01  0.322816D+02
      2   0.376268D+01 -0.874975D+01  0.923758D+01 -0.237138D+01 -0.226556D+02
      3   0.499261D+01 -0.247113D+02  0.347627D+01 -0.108329D+01 -0.962601D+01
      4   0.574576D+01 -0.350288D+01  0.207610D+02  0.212838D+00 -0.269040D+01
      5  -0.700872D+01  0.128997D+02 -0.137339D+01  0.451486D+01  0.315619D+02
      6   0.396478D+01 -0.177939D+01  0.304783D+01  0.139337D+01 -0.462243D+01
               116           117           118           119           120 
      1   0.130907D+01  0.313893D+02 -0.393811D+01  0.643915D+01  0.152391D+01
      2   0.105163D+01 -0.729022D+01  0.749928D+01 -0.147259D+01 -0.757669D+00
      3  -0.236070D+01 -0.240991D+02 -0.356117D+01 -0.496656D+01 -0.766238D+00
      4   0.380537D+01 -0.726781D+01  0.116571D+02  0.105829D+02 -0.909661D+00
      5  -0.687081D+01  0.641480D+01  0.496550D+00 -0.128777D+01  0.792223D+01
      6  -0.395170D+01 -0.393041D+01 -0.126739D+01 -0.103406D+01  0.219239D+00
               121           122           123           124           125 
      1   0.114177D+02 -0.131472D+02  0.274122D+01  0.342984D+01 -0.421663D+00
      2  -0.104337D+01  0.275329D+02 -0.149568D+01 -0.204750D+01  0.183194D+01
      3  -0.103744D+02 -0.143856D+02 -0.124554D+01 -0.138234D+01 -0.141028D+01
      4   0.185879D+02  0.489313D+02 -0.243112D+01 -0.654092D-01  0.442318D-01
      5  -0.116609D+01 -0.220419D+01  0.112784D+02  0.973231D+01  0.527216D+01
      6  -0.160798D+01 -0.630862D+01  0.497323D+01  0.161961D+01  0.575953D+01
               126           127           128           129           130 
      1   0.930122D+00  0.110462D+03  0.113184D+02 -0.198129D+02  0.206092D+02
      2  -0.379401D+00 -0.658839D+02 -0.541499D+01  0.177809D+02 -0.113334D+02
      3  -0.550721D+00 -0.445777D+02 -0.590340D+01  0.203192D+01 -0.927577D+01
      4   0.563740D+01  0.173390D+02  0.150660D+02 -0.332978D+01  0.181180D+02
      5  -0.196120D+01 -0.610629D+02 -0.528090D+01  0.296561D+02 -0.131234D+02
      6  -0.530541D+00 -0.735921D+01 -0.585735D+01  0.163400D+01 -0.625815D+01
               131           132           133           134           135 
      1   0.911573D+01 -0.231164D+01 -0.723466D+01  0.661550D+00  0.613942D+01
      2  -0.366644D+01  0.409636D+01  0.715833D+01  0.121541D+01 -0.663815D+01
      3  -0.544929D+01 -0.178472D+01  0.763313D-01 -0.187696D+01  0.498730D+00
      4   0.359788D+01 -0.521254D+01 -0.723550D+00 -0.214325D+01  0.344119D+01
      5  -0.679088D+01  0.819799D+01  0.154147D+02  0.326960D+01 -0.713451D+01
      6  -0.768637D+00  0.349459D+01  0.148447D+01  0.167460D+01 -0.190667D+01
               136           137           138           139           140 
      1  -0.445631D+01  0.697647D+01 -0.213085D+02  0.827398D+01 -0.965198D+01
      2  -0.699530D+00 -0.151215D+01 -0.196499D+01 -0.508631D+01  0.203764D+01
      3   0.515584D+01 -0.546432D+01  0.232735D+02 -0.318767D+01  0.761435D+01
      4   0.340001D+01 -0.422155D+01  0.302958D+01  0.173675D+01  0.440910D+01
      5  -0.780600D+00  0.381030D+00 -0.119521D+02 -0.598774D+01 -0.768908D+01
      6  -0.295478D+01  0.480570D+01 -0.444344D+01 -0.109373D+00 -0.603794D+01
               141           142           143           144           145 
      1   0.124352D+02 -0.956213D+01  0.812391D+01 -0.366214D+02  0.673273D+01
      2   0.356516D+01  0.345214D+01  0.205909D+01 -0.128626D+02 -0.168867D+01
      3  -0.160003D+02  0.610999D+01 -0.101830D+02  0.494839D+02 -0.504406D+01
      4  -0.103276D+02 -0.708337D+00 -0.912571D+01  0.115127D+02 -0.432459D+01
      5   0.164459D+02  0.611179D+01  0.862816D+01 -0.371796D+02 -0.381614D+01
      6   0.114725D+02  0.247760D-01  0.951235D+01 -0.119808D+02  0.191768D+01
               146           147           148           149           150 
      1  -0.459842D+01 -0.518524D+01 -0.126410D+02 -0.982818D+01 -0.300229D+01
      2   0.244756D+01  0.522498D+00  0.783840D+01  0.131973D+02 -0.275574D+01
      3   0.215085D+01  0.466274D+01  0.480259D+01 -0.336912D+01  0.575803D+01
      4   0.325873D+01  0.852722D+00  0.114563D+02 -0.470201D+02 -0.133245D+02
      5   0.217159D+01 -0.127139D+01  0.135996D+02 -0.123724D+02 -0.167074D+02
      6  -0.144470D+00  0.250762D-01 -0.443041D+01  0.259022D+02  0.112768D+02
               151           152           153           154           155 
      1  -0.735846D+00 -0.194449D+01 -0.657662D+01  0.194111D+03 -0.303122D+02
      2  -0.377474D+00 -0.345118D+00  0.762070D+00 -0.909346D+02  0.935537D+01
      3   0.111332D+01  0.228961D+01  0.581455D+01 -0.103176D+03  0.209569D+02
      4   0.162321D+01 -0.563667D+01 -0.499342D+01 -0.427505D+02  0.387695D+02
      5   0.827221D+00 -0.504007D+01 -0.370757D+01  0.336828D+02 -0.722811D+01
      6  -0.125750D+01  0.753650D+01  0.332958D+01 -0.553652D+01  0.423753D+01
               156           157           158           159           160 
      1   0.726097D+01 -0.409756D+02  0.349505D+02 -0.858301D+00  0.637794D+01
      2  -0.855644D+01  0.132045D+02 -0.933981D+01  0.175522D+01 -0.719566D+01
      3   0.129547D+01  0.277711D+02 -0.256106D+02 -0.896915D+00  0.817718D+00
      4  -0.368257D+01  0.544609D+02 -0.382807D+02  0.308077D+01 -0.290529D+01
      5   0.396714D+02 -0.921553D+01  0.798293D+01 -0.134875D+02  0.328583D+02
      6  -0.233764D+01  0.953873D+01 -0.650149D+01  0.588422D+01 -0.410247D+01
               161           162           163           164           165 
      1  -0.102482D+01  0.174324D+02  0.556340D+02 -0.984715D+01  0.166423D+02
      2   0.127289D+01 -0.124843D+02 -0.395869D+02  0.403562D+01 -0.108766D+02
      3  -0.248066D+00 -0.494809D+01 -0.160471D+02  0.581153D+01 -0.576579D+01
      4   0.177060D-01 -0.717018D+01 -0.107214D+02  0.904032D+01  0.138415D+01
      5  -0.817875D+01  0.364883D+01  0.361463D+02 -0.706928D+00  0.207479D+02
      6   0.478964D+01 -0.171063D+01 -0.377359D+01  0.169837D+01  0.618741D+00
               166           167           168           169           170 
      1  -0.197542D+02 -0.635457D+01  0.414691D+00 -0.789399D+01  0.852673D+00
      2   0.107609D+02  0.131575D+01  0.630180D+00  0.890659D+00 -0.129778D+01
      3   0.899337D+01  0.503882D+01 -0.104487D+01  0.700333D+01  0.445110D+00
      4   0.702216D+01  0.147757D+01  0.122195D+02  0.576061D+01  0.554039D+01
      5  -0.783262D+01  0.121862D+02 -0.314321D+01  0.140474D+02  0.502571D+01
      6   0.181919D+01  0.725515D+00  0.119746D+02  0.362425D+01  0.117733D+02
               171           172           173           174           175 
      1  -0.370625D+02 -0.518644D+02  0.808906D+01  0.720366D+01  0.155257D+02
      2  -0.134091D+02  0.331739D+02 -0.389949D+01  0.591046D+01 -0.102977D+02
      3   0.504716D+02  0.186905D+02 -0.418957D+01 -0.131141D+02 -0.522800D+01
      4   0.753362D+01  0.764968D+01 -0.566684D+01 -0.131186D+01 -0.949589D+00
      5   0.466835D+02 -0.276587D+02  0.117351D+01 -0.176613D+02  0.745218D+01
      6   0.469216D+01  0.306664D+01 -0.436831D+01 -0.194088D+01 -0.688089D+00
               176           177           178           179           180 
      1  -0.719875D+01 -0.214682D+01 -0.108839D+02  0.147989D+00 -0.106303D+02
      2   0.420256D+01 -0.127368D+01  0.135880D+02 -0.520987D+00  0.522529D+01
      3   0.299620D+01  0.342051D+01 -0.270411D+01  0.372998D+00  0.540504D+01
      4   0.286362D+01  0.394333D+01  0.245935D+01 -0.166794D+00  0.131890D+01
      5   0.249003D+01  0.578354D+01 -0.125605D+02  0.843768D+00 -0.304102D+01
      6   0.277643D+01  0.412885D+01 -0.109279D+01  0.135864D+01  0.975972D+00
               181           182           183           184           185 
      1   0.279937D+02  0.503418D+02  0.707989D+00 -0.367324D+02  0.125638D+02
      2  -0.139471D+02 -0.409944D+02 -0.221960D+00  0.304174D+02 -0.189557D+02
      3  -0.140466D+02 -0.934743D+01 -0.486029D+00  0.631494D+01  0.639196D+01
      4   0.274328D+01  0.401868D+02 -0.319827D+01 -0.523479D+01  0.362731D+02
      5   0.585415D+01 -0.597277D+01  0.150129D+02  0.926574D-01  0.179001D+01
      6  -0.429226D+01  0.210561D+01 -0.116441D+02  0.128435D+01 -0.176795D+01
               186           187           188           189           190 
      1   0.159369D+01  0.153292D+01 -0.670078D+01  0.392000D+01  0.109284D+03
      2  -0.194381D+01  0.101991D+01  0.352073D+01 -0.756629D+01 -0.545867D+02
      3   0.350128D+00 -0.255283D+01  0.318005D+01  0.364629D+01 -0.546969D+02
      4   0.190713D+01 -0.541834D+01 -0.292709D+00 -0.250126D+02  0.895123D+01
      5  -0.816701D+01  0.358423D+02 -0.207105D+02 -0.354453D+01  0.334106D+01
      6   0.261688D+01 -0.239083D+02  0.148869D+02  0.373574D+01 -0.165959D+01
               191           192           193           194           195 
      1   0.107351D+01 -0.568644D+01 -0.485156D+02 -0.361419D+02  0.208736D+01
      2  -0.130975D+02  0.932426D+00  0.119279D+02  0.417426D+02  0.661132D+00
      3   0.120240D+02  0.475401D+01  0.365877D+02 -0.560074D+01 -0.274849D+01
      4   0.205664D+02 -0.383727D+00 -0.394381D+02 -0.625614D+02  0.137612D+01
      5   0.501359D+00  0.532812D+01 -0.425144D+00  0.744599D-01 -0.141145D+01
      6   0.119014D+01 -0.322287D+01  0.275114D+01  0.962287D+00 -0.768695D+01
               196           197           198           199           200 
      1  -0.195484D+01 -0.206627D+01  0.228830D+02 -0.112333D+03 -0.224811D+02
      2   0.122037D+01  0.242859D+01 -0.207592D+02  0.396979D+02  0.235078D+02
      3   0.734474D+00 -0.362318D+00 -0.212379D+01  0.726347D+02 -0.102667D+01
      4  -0.299352D+01 -0.264474D+01 -0.155900D+00 -0.339728D+02 -0.312692D+02
      5   0.494828D+02 -0.462907D+01 -0.401569D+01  0.272261D+01  0.315338D+01
      6  -0.108246D+01  0.445489D+01 -0.354130D+00  0.423689D+01  0.783559D+00
               201           202           203           204           205 
      1   0.670707D+01  0.818143D+02  0.154042D+02 -0.405262D+01  0.102309D+02
      2  -0.259497D+01 -0.489389D+02 -0.235343D+02  0.208190D+01 -0.475558D+01
      3  -0.411210D+01 -0.328754D+02  0.813015D+01  0.197072D+01 -0.547530D+01
      4   0.340626D+01  0.275093D+02  0.193171D+02 -0.170897D+01  0.527675D+01
      5   0.626258D+01 -0.164570D+01 -0.525770D+00  0.123556D+02  0.231256D+01
      6   0.716531D+00 -0.190649D+01 -0.731836D+00  0.803389D+01  0.216032D+01
               206           207           208           209           210 
      1   0.511974D+01 -0.169745D+02  0.461350D+02 -0.582775D+01 -0.408892D+00
      2  -0.403032D+01 -0.191900D+01 -0.280846D+02  0.654806D+01  0.231974D+01
      3  -0.108941D+01  0.188935D+02 -0.180504D+02 -0.720310D+00 -0.191084D+01
      4   0.308413D+01  0.174724D+02 -0.123400D+02  0.103260D+02  0.454701D+00
      5   0.216935D+02  0.359354D+01 -0.433560D+01  0.110953D-02  0.205911D+02
      6   0.103662D+02 -0.126320D+00  0.862863D+00 -0.145693D+01  0.387110D+01
               211           212           213           214           215 
      1  -0.860503D+01  0.103393D+02  0.303375D+01 -0.121618D+01 -0.274681D-01
      2   0.687450D+01 -0.491153D+01 -0.149013D+01  0.210503D+01 -0.675631D+00
      3   0.173052D+01 -0.542780D+01 -0.154362D+01 -0.888856D+00  0.703099D+00
      4   0.397831D+02 -0.113398D+02 -0.227502D+01  0.105214D+01 -0.516912D+00
      5   0.247446D+01 -0.619638D+00  0.158915D+02  0.152979D+02 -0.406539D+01
      6  -0.783444D+00 -0.390289D-01  0.136740D+02 -0.102897D+01  0.450521D+01
               216           217           218           219           220 
      1   0.692619D+01 -0.881780D+02 -0.220118D+01  0.124268D+02  0.706361D+01
      2  -0.377050D+01  0.498915D+02  0.448157D+01 -0.681038D+01 -0.781409D+00
      3  -0.315568D+01  0.382865D+02 -0.228039D+01 -0.561645D+01 -0.628220D+01
      4  -0.501851D+01  0.313170D+01  0.251264D+02 -0.289662D+01 -0.123065D+02
      5  -0.337798D+01  0.109924D+02 -0.325758D+01  0.186601D+02 -0.632995D+01
      6   0.401231D+00  0.414483D+00 -0.261035D+01  0.767702D+01 -0.164662D+01
               221           222           223           224           225 
      1   0.125414D+02 -0.101881D+02  0.897554D+01 -0.642769D+01  0.232488D+02
      2  -0.628959D+01  0.325795D+01 -0.521047D+01  0.216483D+01 -0.185387D+02
      3  -0.625180D+01  0.693014D+01 -0.376507D+01  0.426286D+01 -0.471009D+01
      4  -0.137252D+01  0.708490D+00 -0.491920D+01 -0.218792D+01 -0.410601D+02
      5   0.230284D+00 -0.662264D+02 -0.860947D+01 -0.440022D+02 -0.755005D+01
      6   0.146257D+01 -0.273502D+02 -0.103682D+02 -0.205634D+02  0.251753D+00
               226           227           228           229           230 
      1  -0.652584D+01 -0.158031D+02  0.492159D+00 -0.533247D+01 -0.569218D+02
      2   0.790636D+01  0.173521D+02 -0.292315D+00  0.516633D+01  0.746948D+02
      3  -0.138052D+01 -0.154901D+01 -0.199844D+00  0.166139D+00 -0.177729D+02
      4   0.779507D+00  0.465510D+01  0.233937D+00  0.389800D+01 -0.222039D+02
      5   0.367573D+00  0.682704D+00  0.940956D+00  0.621926D-01  0.209518D+01
      6  -0.285138D+00 -0.873626D+00  0.216464D+01  0.178604D+00 -0.102659D+01
               231           232           233           234           235 
      1  -0.544344D+00  0.721513D+00  0.154998D+00 -0.109089D+01  0.365888D+02
      2   0.647330D+00 -0.487363D+00  0.130524D+00  0.183963D+01 -0.726390D+01
      3  -0.102986D+00 -0.234150D+00 -0.285522D+00 -0.748740D+00 -0.293249D+02
      4   0.661351D-01 -0.391078D-01 -0.663728D+00  0.725119D+00 -0.528450D+02
      5  -0.244882D+01  0.235962D+01  0.236117D+00 -0.232061D+00 -0.346914D+01
      6   0.850905D+01 -0.719129D+00  0.335414D+01  0.455086D-01  0.272904D+01
               236           237           238           239           240 
      1  -0.185904D+02 -0.236539D+01 -0.181699D+02  0.833193D+01  0.748410D+00
      2  -0.209219D+01  0.634355D+00 -0.706368D+01  0.165882D+02  0.830338D+00
      3   0.206826D+02  0.173103D+01  0.252336D+02 -0.249201D+02 -0.157875D+01
      4   0.429083D+02  0.432627D+01  0.497473D+02 -0.550631D+02 -0.435591D+01
      5   0.223417D+01  0.753789D+01  0.226087D+01 -0.199309D+01 -0.702762D+01
      6  -0.210574D+01 -0.441662D+01 -0.228946D+01  0.282366D+01  0.595326D+01
               241           242           243           244           245 
      1  -0.353131D+01  0.146269D+01 -0.310278D+00  0.788490D+01  0.977822D+01
      2   0.578547D+00  0.503119D+00  0.110213D+01 -0.187082D+01 -0.311466D+01
      3   0.295276D+01 -0.196581D+01 -0.791849D+00 -0.601408D+01 -0.666356D+01
      4   0.545971D+01 -0.458413D+01 -0.362948D+01  0.153015D+02  0.130876D+02
      5  -0.491212D-01 -0.253002D+01 -0.100603D+01 -0.171252D+00 -0.421011D+00
      6   0.751201D+00  0.255193D+01  0.668708D+00 -0.106011D+00 -0.426358D+00
               246           247           248           249           250 
      1  -0.338194D+00  0.113504D+02 -0.755640D+01 -0.573125D+00 -0.310257D+00
      2   0.186186D+00  0.698953D+00  0.200961D+02  0.400766D-01  0.202318D+00
      3   0.152008D+00 -0.120494D+02 -0.125397D+02  0.533048D+00  0.107939D+00
      4  -0.879344D+00  0.247747D+02  0.409459D+02 -0.525157D+00 -0.610775D+00
      5   0.115150D+01  0.169879D+00  0.151213D+01  0.439703D+01  0.532409D+00
      6   0.336640D+00 -0.275671D-01  0.143268D+00  0.487319D+01  0.165793D+01
               251           252           253           254           255 
      1  -0.112179D+01 -0.132175D+01  0.347651D+01  0.313370D+01  0.789002D+01
      2   0.662618D+00  0.198372D+01 -0.182720D+01 -0.289301D+01 -0.361958D+01
      3   0.459174D+00 -0.661969D+00 -0.164931D+01 -0.240689D+00 -0.427044D+01
      4  -0.661892D-02 -0.146696D+00 -0.233744D+01 -0.397258D+01  0.145345D+01
      5  -0.102423D+01 -0.242237D-01  0.567954D+01  0.321239D-01 -0.741866D+01
      6   0.125494D+01  0.396321D-01  0.178624D+01 -0.707804D+00 -0.429977D+01
               256           257           258           259           260 
      1   0.767702D+01 -0.208311D+00  0.265057D+00  0.281808D+02  0.604506D+01
      2  -0.466576D+00  0.815782D+01  0.472790D+01 -0.131082D+02  0.167591D+01
      3  -0.721045D+01 -0.794950D+01 -0.499295D+01 -0.150726D+02 -0.772098D+01
      4   0.222058D+02  0.290130D+02  0.197373D+02  0.278653D+02  0.283132D+02
      5   0.132890D+02  0.206864D+02  0.270692D+02  0.267653D+02  0.295252D+02
      6   0.578253D+01  0.101760D+02  0.130367D+02  0.111732D+02  0.145665D+02
               261           262           263           264           265 
      1  -0.404723D+01  0.203357D+03  0.149066D+02 -0.126663D+02 -0.114667D+02
      2   0.907321D-01 -0.105220D+03 -0.475031D+01  0.748400D+01  0.924709D+01
      3   0.395649D+01 -0.981376D+02 -0.101563D+02  0.518232D+01  0.221957D+01
      4   0.275750D+02  0.384969D+02  0.192301D+02 -0.238284D+01  0.169056D+02
      5   0.511817D+02 -0.152434D+02 -0.110085D+01  0.190734D+02  0.731366D+00
      6   0.183500D+02 -0.229015D+01 -0.842964D+00  0.321283D+01 -0.729423D+00
               266           267           268           269           270 
      1   0.145239D+02  0.109288D+01 -0.135425D+02 -0.489522D+00  0.136082D+02
      2  -0.691395D+01 -0.855667D+00  0.812161D+01  0.139451D+00 -0.781190D+01
      3  -0.760995D+01 -0.237213D+00  0.542091D+01  0.350071D+00 -0.579634D+01
      4  -0.221293D+00 -0.140861D+01 -0.262625D+01 -0.163880D+01  0.601476D+01
      5  -0.158909D+01  0.794739D+00  0.218898D+02  0.522596D+01 -0.406818D+01
      6  -0.143285D+00  0.186104D+01  0.299840D+01  0.300835D+01 -0.709936D+00
               271           272           273           274           275 
      1  -0.403177D+01  0.368351D+01 -0.117227D+02  0.589814D+01 -0.622570D+01
      2   0.143505D+01 -0.396187D+01  0.489311D+01 -0.863958D+00  0.108096D+02
      3   0.259672D+01  0.278368D+00  0.682959D+01 -0.503418D+01 -0.458386D+01
      4  -0.643727D+01 -0.841385D+01  0.316771D+01  0.191551D+02  0.299403D+02
      5  -0.395300D+01  0.428549D+01 -0.126323D+02 -0.100001D+02 -0.211388D+02
      6  -0.783384D+00  0.389856D+01 -0.712711D+01 -0.556091D+01 -0.133056D+02
               276           277           278           279 
      1   0.668537D+01 -0.223000D+02  0.194751D+01 -0.117820D+02
      2  -0.693374D+01  0.110500D+02 -0.384469D+01  0.154720D+01
      3   0.248370D+00  0.112500D+02  0.189718D+01  0.102348D+02
      4  -0.215139D+02 -0.205209D+02 -0.257191D+02  0.278036D+02
      5   0.282371D+02  0.214832D+02  0.288308D+02 -0.450232D+02
      6   0.154942D+02  0.101167D+02  0.164840D+02 -0.200360D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.214599D+01      0.545456D+01      0.181945D+02
   x         -0.205154D+01     -0.521450D+01     -0.173937D+02
   y          0.144099D+00      0.366262D+00      0.122172D+01
   z         -0.612924D+00     -0.155790D+01     -0.519659D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.182708D+03      0.270745D+02      0.301245D+02
   aniso      0.148097D+03      0.219458D+02      0.244180D+02
   xx         0.276001D+03      0.408992D+02      0.455064D+02
   yx        -0.698195D+01     -0.103462D+01     -0.115117D+01
   yy         0.160135D+03      0.237295D+02      0.264027D+02
   zx        -0.123091D+02     -0.182402D+01     -0.202950D+01
   zy         0.186296D+01      0.276062D+00      0.307160D+00
   zz         0.111988D+03      0.165950D+02      0.184644D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.204790D+03      0.303467D+02      0.337652D+02
   aniso      0.169767D+03      0.251568D+02      0.279907D+02
   xx         0.312355D+03      0.462862D+02      0.515003D+02
   yx        -0.866454D+01     -0.128395D+01     -0.142859D+01
   yy         0.176957D+03      0.262223D+02      0.291762D+02
   zx        -0.132781D+02     -0.196761D+01     -0.218926D+01
   zy         0.210646D+01      0.312146D+00      0.347309D+00
   zz         0.125057D+03      0.185316D+02      0.206191D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.03032674         -1.53614494          1.45802895
     6         -0.40686792          1.05294070          2.08052490
     6          0.95071921         -2.16942227         -0.94391014
     6          1.56147538         -0.34883026         -2.69474968
     6          1.17261553          2.22295217         -2.05924791
     6          0.22112581          2.89897364          0.24835520
     6         -0.65580265         -3.38986757          3.28590797
     1          1.23874679         -4.14909030         -1.39057990
     1          1.62299653          3.67164593         -3.43253394
     1         -0.06928446          4.87477777          0.69757010
     6          2.60160473         -1.04665650         -5.26557781
     6          5.24877169          0.00121637         -5.75082758
     6          0.78413516         -0.31236429         -7.40329264
     1          2.69186496         -3.11401840         -5.35506871
     1          5.92502113         -0.58313216         -7.60297792
     1          6.54856874         -0.68060275         -4.30563665
     1          5.24985530          2.06014458         -5.70638795
     8          1.43746567          0.48096423         -9.41985170
     8         -1.69427245         -0.70880413         -6.91155730
     1         -1.90436302         -1.18749399         -5.15579427
     6         -1.60012769         -2.72130192          5.59007984
     6         -1.97609214         -0.14231789          6.20340013
     6         -1.38977477          1.71170793          4.47952416
     8         -2.92573118          0.27526873          8.54876791
     6         -3.36036901          2.80971306          9.30335281
     1         -0.37339857         -5.36526026          2.83054391
     1         -2.08274661         -4.12406193          6.99611429
     1         -1.66152977          3.68837255          4.90971004
     1         -1.60454181          3.90001390          9.30839808
     1         -4.11262685          2.71296143         11.21217472
     1         -4.73479231          3.73273743          8.06617871

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.214599D+01      0.545456D+01      0.181945D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.214599D+01      0.545456D+01      0.181945D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.182708D+03      0.270745D+02      0.301245D+02
   aniso      0.148097D+03      0.219458D+02      0.244180D+02
   xx         0.132243D+03      0.195964D+02      0.218040D+02
   yx        -0.131450D+01     -0.194788D+00     -0.216731D+00
   yy         0.159679D+03      0.236619D+02      0.263274D+02
   zx        -0.553526D+02     -0.820242D+01     -0.912642D+01
   zy        -0.246433D+01     -0.365176D+00     -0.406313D+00
   zz         0.256202D+03      0.379653D+02      0.422421D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.204790D+03      0.303467D+02      0.337652D+02
   aniso      0.169767D+03      0.251568D+02      0.279907D+02
   xx         0.147732D+03      0.218916D+02      0.243577D+02
   yx        -0.114471D+01     -0.169628D+00     -0.188737D+00
   yy         0.176391D+03      0.261385D+02      0.290829D+02
   zx        -0.625528D+02     -0.926938D+01     -0.103136D+02
   zy        -0.320906D+01     -0.475533D+00     -0.529102D+00
   zz         0.290246D+03      0.430100D+02      0.478551D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-U24-18\Freq\RLC-PBEPBE\Gen\C14H14O3\PIERPA\17-Aug-2021\0\
 \#P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight)
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 WHAT THE SLIME CONTAINS, THE GLOWING REVEALS
 BY THE FLAME'S BRIGHT HUE WHEN YOU IGNITE IT.
   --  LEONARD THURNEYSSER, 1531-1596
 DESCRIBING HIS FLAME PHOTOLYSIS ANALYTIC METHOD
 Job cpu time:       0 days 23 hours 35 minutes  3.6 seconds.
 Elapsed time:       0 days  2 hours 57 minutes 19.8 seconds.
 File lengths (MBytes):  RWF=    749 Int=      0 D2E=      0 Chk=     26 Scr=      2
 Normal termination of Gaussian 16 at Tue Aug 17 00:23:51 2021.
